1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole

C173H126N35O2PS — CID 158208548

About 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole

1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole (PubChem CID 158208548) has the molecular formula C173H126N35O2PS and a molecular weight of 2790.19 g/mol. Its IUPAC name is 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole
• PubChem CID: 158208548
• Molecular Formula: C173H126N35O2PS
• Molecular Weight: 2790.19 g/mol
• Exact Mass: 2788.03
• IUPAC Name: 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole
• SMILES: O=P.c1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)ccc1c2c2ccccc2n2c3ccccc3nc12.c1ccc2c(c1)ccc1c3ccccc3n3c4ccccc4nc3c21.c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21.c1ccc2c(c1)nc1c3cccnc3c3ccccc3n21.c1ccc2c(c1)ncn1c3ccccc3nc21.c1ccc2cnccc2c1.c1ccc2ncncc2c1.c1ccncc1.c1cnc2c(c1)ccc1cccnc12.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1
• InChI: InChI=1S/2C23H14N2.C19H12N2.C18H11N3.C14H9N3.C13H9N.C12H8N2.C9H7N.C8H6N2.C7H6N2.C5H5N.2C4H4N2.C3H3N3.C3H4N2.C3H3NO.C3H3NS.C2H3N3.HOP/c1-2-8-16-15(7-1)13-14-18-22(16)17-9-3-5-11-20(17)25-21-12-6-4-10-19(21)24-23(18)25;1-2-8-16-15(7-1)13-14-18-17-9-3-5-11-20(17)25-21-12-6-4-10-19(21)24-23(25)22(16)18;1-2-9-15-13(7-1)14-8-3-5-11-17(14)21-18-12-6-4-10-16(18)20-19(15)21;1-3-9-15-12(6-1)17-13(7-5-11-19-17)18-20-14-8-2-4-10-16(14)21(15)18;1-2-6-11-10(5-1)14-16-12-7-3-4-8-13(12)17(14)9-15-11;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-3-2-5-4-1;1-2/h2*1-14H;1-12H;1-11H;1-9H;1-9H;1-8H;1-7H;1-6H;1-5H,(H,8,9);1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);2H
• InChIKey: GBUBEBMDTYGHFD-UHFFFAOYSA-N
• XLogP: 39.92
• TPSA: 447.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2790.19
LogP ≤ 5	39.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole?

The IUPAC name of 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole (CID 158208548) is 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole.

What is the SMILES notation for 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole?

The canonical SMILES for 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole is O=P.c1c[nH]cn1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)ccc1c2c2ccccc2n2c3ccccc3nc12.c1ccc2c(c1)ccc1c3ccccc3n3c4ccccc4nc3c21.c1ccc2c(c1)cnc1ccccc12.c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21.c1ccc2c(c1)nc1c3cccnc3c3ccccc3n21.c1ccc2c(c1)ncn1c3ccccc3nc21.c1ccc2cnccc2c1.c1ccc2ncncc2c1.c1ccncc1.c1cnc2c(c1)ccc1cccnc12.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1ncncn1.

What is the InChIKey of 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole?

The InChIKey is GBUBEBMDTYGHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H14N2.C19H12N2.C18H11N3.C14H9N3.C13H9N.C12H8N2.C9H7N.C8H6N2.C7H6N2.C5H5N.2C4H4N2.C3H3N3.C3H4N2.C3H3NO.C3H3NS.C2H3N3.HOP/c1-2-8-16-15(7-1)13-14-18-22(16)17-9-3-5-11-20(17)25-21-12-6-4-10-19(21)24-23(18)25;1-2-8-16-15(7-1)13-14-18-17-9-3-5-11-20(17)25-21-12-6-4-10-19(21)24-23(25)22(16)18;1-2-9-15-13(7-1)14-8-3-5-11-17(14)21-18-12-6-4-10-16(18)20-19(15)21;1-3-9-15-12(6-1)17-13(7-5-11-19-17)18-20-14-8-2-4-10-16(14)21(15)18;1-2-6-11-10(5-1)14-16-12-7-3-4-8-13(12)17(14)9-15-11;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-3-2-5-4-1;1-2/h2*1-14H;1-12H;1-11H;1-9H;1-9H;1-8H;1-7H;1-6H;1-5H,(H,8,9);1-5H;2*1-4H;1-3H;1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5);2H.

What are the key properties of 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole?

1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole has a molecular weight of 2790.19 g/mol, XLogP of 39.92, 0 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;benzimidazolo[1,2-c]quinazoline;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11,13,15,18,20,22,24-dodecaene;14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1H-imidazole;isoquinoline;1,3-oxazole;oxophosphane;phenanthridine;1,10-phenanthroline;pyrazine;pyridine;pyrimidine;quinazoline;1,3-thiazole;6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene;1,3,5-triazine;1H-1,2,4-triazole is sourced from PubChem (CID 158208548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).