N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

C25H22N6O2 — CID 56524502

IUPACN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N6O2/c1-16-27-21-14-18(10-13-22(21)31(16)19-6-4-3-5-7-19)25(32)26-15-23-28-24(30-29-23)17-8-11-20(33-2)12-9-17/h3-14H,15H2,1-2H3,(H,26,32)(H,28,29,30)
InChIKeyXVIPWQUZXSLFDG-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.06
Rot. Bonds6

About N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (PubChem CID 56524502) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
PubChem CID56524502
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC NameN-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)n2)cc1
InChIInChI=1S/C25H22N6O2/c1-16-27-21-14-18(10-13-22(21)31(16)19-6-4-3-5-7-19)25(32)26-15-23-28-24(30-29-23)17-8-11-20(33-2)12-9-17/h3-14H,15H2,1-2H3,(H,26,32)(H,28,29,30)
InChIKeyXVIPWQUZXSLFDG-UHFFFAOYSA-N
XLogP4.06
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
4-(benzimidazol-1-yl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56523639
4-iodo-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524317
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dipropoxybenzamide
CID 56524628
4-anilino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3-nitrobenzamide
CID 56524164
3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 167842332
3-bromo-N-[2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 56527762
3-methoxy-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-[2-(methylamino)-2-oxoethoxy]benzamide
CID 56523615
tert-butyl N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]carbamate
CID 56524351

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide (CID 56524502) is N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is COc1ccc(-c2n[nH]c(CNC(=O)c3ccc4c(c3)nc(C)n4-c3ccccc3)n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is XVIPWQUZXSLFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-16-27-21-14-18(10-13-22(21)31(16)19-6-4-3-5-7-19)25(32)26-15-23-28-24(30-29-23)17-8-11-20(33-2)12-9-17/h3-14H,15H2,1-2H3,(H,26,32)(H,28,29,30).
What are the key properties of N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide?
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 56524502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).