1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline

C84H71N13 — CID 160616097

IUPAC1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline
SMILESCc1c(-c2ccccc2)nc2ccccn12.Cc1c(-c2ccccc2)nc2ncccn12.Cc1nc2ccccn2c1-c1ccccc1.Cc1nc2ncccn2c1-c1ccccc1.Cc1ncc2ccccc2c1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H13N.3C14H12N2.2C13H11N3/c1-12-16(13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-17-12;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-11-14(12-7-3-2-4-8-12)15-13-9-5-6-10-16(11)13;1-11-14(12-7-3-2-4-8-12)16-10-6-5-9-13(16)15-11;1-10-12(11-6-3-2-4-7-11)15-13-14-8-5-9-16(10)13;1-10-12(11-6-3-2-4-7-11)16-9-5-8-14-13(16)15-10/h2-11H,1H3;3*2-10H,1H3;2*2-9H,1H3
InChIKeyRGCNJPSSKHVXHX-UHFFFAOYSA-N
MW1262.58 g/mol
LogP19.48
Rot. Bonds6

About 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline

1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline (PubChem CID 160616097) has the molecular formula C84H71N13 and a molecular weight of 1262.58 g/mol. Its IUPAC name is 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline.

Molecular Properties

Compound Name1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline
PubChem CID160616097
Molecular FormulaC84H71N13
Molecular Weight1262.58 g/mol
Exact Mass1261.60
IUPAC Name1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline
SMILESCc1c(-c2ccccc2)nc2ccccn12.Cc1c(-c2ccccc2)nc2ncccn12.Cc1nc2ccccn2c1-c1ccccc1.Cc1nc2ncccn2c1-c1ccccc1.Cc1ncc2ccccc2c1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H13N.3C14H12N2.2C13H11N3/c1-12-16(13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-17-12;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-11-14(12-7-3-2-4-8-12)15-13-9-5-6-10-16(11)13;1-11-14(12-7-3-2-4-8-12)16-10-6-5-9-13(16)15-11;1-10-12(11-6-3-2-4-7-11)15-13-14-8-5-9-16(10)13;1-10-12(11-6-3-2-4-7-11)16-9-5-8-14-13(16)15-10/h2-11H,1H3;3*2-10H,1H3;2*2-9H,1H3
InChIKeyRGCNJPSSKHVXHX-UHFFFAOYSA-N
XLogP19.48
TPSA125.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001262.58
LogP ≤ 519.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

2-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 71059779
bis(1,2-dimethylbenzimidazole);bis(2,3-dimethylimidazo[1,2-a]pyridine);bis(2,3-dimethylimidazo[1,2-a]pyrimidine);ethane;4-methyl-1,5-naphthyridine;5-methyl-1,10-phenanthroline
CID 159602270
2-phenyl-1-[4-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306933
1-phenyl-2-[4-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 155306860
3-(dideuteriomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 66561866
2-(4-benzo[a]anthracen-7-ylphenyl)-1-methylbenzimidazole
CID 88544840
2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole
CID 135245155
5-[3-(2,6-dimethyl-3-pyridinyl)-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 164781279
2-phenyl-1-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164781227
3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 69375800
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
2-phenyl-3-[4-[7-[4-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)phenyl]pyren-2-yl]phenyl]imidazo[1,2-a]pyrimidine
CID 90362578

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline?
The IUPAC name of 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline (CID 160616097) is 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline.
What is the SMILES notation for 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline?
The canonical SMILES for 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline is Cc1c(-c2ccccc2)nc2ccccn12.Cc1c(-c2ccccc2)nc2ncccn12.Cc1nc2ccccn2c1-c1ccccc1.Cc1nc2ncccn2c1-c1ccccc1.Cc1ncc2ccccc2c1-c1ccccc1.Cn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline?
The InChIKey is RGCNJPSSKHVXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.3C14H12N2.2C13H11N3/c1-12-16(13-7-3-2-4-8-13)15-10-6-5-9-14(15)11-17-12;1-16-13-10-6-5-9-12(13)15-14(16)11-7-3-2-4-8-11;1-11-14(12-7-3-2-4-8-12)15-13-9-5-6-10-16(11)13;1-11-14(12-7-3-2-4-8-12)16-10-6-5-9-13(16)15-11;1-10-12(11-6-3-2-4-7-11)15-13-14-8-5-9-16(10)13;1-10-12(11-6-3-2-4-7-11)16-9-5-8-14-13(16)15-10/h2-11H,1H3;3*2-10H,1H3;2*2-9H,1H3.
What are the key properties of 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline?
1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline has a molecular weight of 1262.58 g/mol, XLogP of 19.48, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenylbenzimidazole;2-methyl-3-phenylimidazo[1,2-a]pyridine;3-methyl-2-phenylimidazo[1,2-a]pyridine;2-methyl-3-phenylimidazo[1,2-a]pyrimidine;3-methyl-2-phenylimidazo[1,2-a]pyrimidine;3-methyl-4-phenylisoquinoline is sourced from PubChem (CID 160616097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).