2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol

C101H96FN21O9 — CID 158656853

IUPAC2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol
SMILESCOCCOc1ccc(-c2nc3ccc(C)cc3[nH]2)nc1.COCCOc1ccc(-c2nc3ccc(CO)cc3[nH]2)nc1.COc1cccnc1-c1nc2ccc(CO)cc2[nH]1.Cc1ccc(-c2nc3ccc(CO)cc3[nH]2)nc1.Cc1ccc2nc(-c3ncccc3C)[nH]c2c1.Cc1ccc2nc(-c3ncccc3F)[nH]c2c1.Cc1cccnc1-c1nc2ccc(CO)cc2[nH]1
InChIInChI=1S/C16H17N3O3.C16H17N3O2.C14H13N3O2.2C14H13N3O.C14H13N3.C13H10FN3/c1-21-6-7-22-12-3-5-14(17-9-12)16-18-13-4-2-11(10-20)8-15(13)19-16;1-11-3-5-13-15(9-11)19-16(18-13)14-6-4-12(10-17-14)21-8-7-20-2;1-19-12-3-2-6-15-13(12)14-16-10-5-4-9(8-18)7-11(10)17-14;1-9-2-4-12(15-7-9)14-16-11-5-3-10(8-18)6-13(11)17-14;1-9-3-2-6-15-13(9)14-16-11-5-4-10(8-18)7-12(11)17-14;1-9-5-6-11-12(8-9)17-14(16-11)13-10(2)4-3-7-15-13;1-8-4-5-10-11(7-8)17-13(16-10)12-9(14)3-2-6-15-12/h2-5,8-9,20H,6-7,10H2,1H3,(H,18,19);3-6,9-10H,7-8H2,1-2H3,(H,18,19);2-7,18H,8H2,1H3,(H,16,17);2*2-7,18H,8H2,1H3,(H,16,17);3-8H,1-2H3,(H,16,17);2-7H,1H3,(H,16,17)
InChIKeyICGBXKSIUPACSD-UHFFFAOYSA-N
MW1767.01 g/mol
LogP18.39
Rot. Bonds20

About 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol

2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol (PubChem CID 158656853) has the molecular formula C101H96FN21O9 and a molecular weight of 1767.01 g/mol. Its IUPAC name is 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol
PubChem CID158656853
Molecular FormulaC101H96FN21O9
Molecular Weight1767.01 g/mol
Exact Mass1765.77
IUPAC Name2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol
SMILESCOCCOc1ccc(-c2nc3ccc(C)cc3[nH]2)nc1.COCCOc1ccc(-c2nc3ccc(CO)cc3[nH]2)nc1.COc1cccnc1-c1nc2ccc(CO)cc2[nH]1.Cc1ccc(-c2nc3ccc(CO)cc3[nH]2)nc1.Cc1ccc2nc(-c3ncccc3C)[nH]c2c1.Cc1ccc2nc(-c3ncccc3F)[nH]c2c1.Cc1cccnc1-c1nc2ccc(CO)cc2[nH]1
InChIInChI=1S/C16H17N3O3.C16H17N3O2.C14H13N3O2.2C14H13N3O.C14H13N3.C13H10FN3/c1-21-6-7-22-12-3-5-14(17-9-12)16-18-13-4-2-11(10-20)8-15(13)19-16;1-11-3-5-13-15(9-11)19-16(18-13)14-6-4-12(10-17-14)21-8-7-20-2;1-19-12-3-2-6-15-13(12)14-16-10-5-4-9(8-18)7-11(10)17-14;1-9-2-4-12(15-7-9)14-16-11-5-3-10(8-18)6-13(11)17-14;1-9-3-2-6-15-13(9)14-16-11-5-4-10(8-18)7-12(11)17-14;1-9-5-6-11-12(8-9)17-14(16-11)13-10(2)4-3-7-15-13;1-8-4-5-10-11(7-8)17-13(16-10)12-9(14)3-2-6-15-12/h2-5,8-9,20H,6-7,10H2,1H3,(H,18,19);3-6,9-10H,7-8H2,1-2H3,(H,18,19);2-7,18H,8H2,1H3,(H,16,17);2*2-7,18H,8H2,1H3,(H,16,17);3-8H,1-2H3,(H,16,17);2-7H,1H3,(H,16,17)
InChIKeyICGBXKSIUPACSD-UHFFFAOYSA-N
XLogP18.39
TPSA418.06 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms132
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001767.01
LogP ≤ 518.39
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol?
The IUPAC name of 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol (CID 158656853) is 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol is COCCOc1ccc(-c2nc3ccc(C)cc3[nH]2)nc1.COCCOc1ccc(-c2nc3ccc(CO)cc3[nH]2)nc1.COc1cccnc1-c1nc2ccc(CO)cc2[nH]1.Cc1ccc(-c2nc3ccc(CO)cc3[nH]2)nc1.Cc1ccc2nc(-c3ncccc3C)[nH]c2c1.Cc1ccc2nc(-c3ncccc3F)[nH]c2c1.Cc1cccnc1-c1nc2ccc(CO)cc2[nH]1.
What is the InChIKey of 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol?
The InChIKey is ICGBXKSIUPACSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3.C16H17N3O2.C14H13N3O2.2C14H13N3O.C14H13N3.C13H10FN3/c1-21-6-7-22-12-3-5-14(17-9-12)16-18-13-4-2-11(10-20)8-15(13)19-16;1-11-3-5-13-15(9-11)19-16(18-13)14-6-4-12(10-17-14)21-8-7-20-2;1-19-12-3-2-6-15-13(12)14-16-10-5-4-9(8-18)7-11(10)17-14;1-9-2-4-12(15-7-9)14-16-11-5-3-10(8-18)6-13(11)17-14;1-9-3-2-6-15-13(9)14-16-11-5-4-10(8-18)7-12(11)17-14;1-9-5-6-11-12(8-9)17-14(16-11)13-10(2)4-3-7-15-13;1-8-4-5-10-11(7-8)17-13(16-10)12-9(14)3-2-6-15-12/h2-5,8-9,20H,6-7,10H2,1H3,(H,18,19);3-6,9-10H,7-8H2,1-2H3,(H,18,19);2-7,18H,8H2,1H3,(H,16,17);2*2-7,18H,8H2,1H3,(H,16,17);3-8H,1-2H3,(H,16,17);2-7H,1H3,(H,16,17).
What are the key properties of 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol?
2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol has a molecular weight of 1767.01 g/mol, XLogP of 18.39, 20 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole;[2-[5-(2-methoxyethoxy)-2-pyridinyl]-3H-benzimidazol-5-yl]methanol;2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;6-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole;[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol;[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 158656853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).