N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide

C19H18N4O2 — CID 95236514

IUPACN-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C19H18N4O2/c1-12-21-15-10-13(8-9-17(15)23(12)2)19(24)22-16(11-20)14-6-4-5-7-18(14)25-3/h4-10,16H,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyQSBOQEUFIHTYAO-INIZCTEOSA-N
MW334.38 g/mol
LogP2.88
Rot. Bonds4

About N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide

N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 95236514) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID95236514
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCOc1ccccc1[C@H](C#N)NC(=O)c1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C19H18N4O2/c1-12-21-15-10-13(8-9-17(15)23(12)2)19(24)22-16(11-20)14-6-4-5-7-18(14)25-3/h4-10,16H,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyQSBOQEUFIHTYAO-INIZCTEOSA-N
XLogP2.88
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
CID 110765787
1,2-dimethyl-N-phenylbenzimidazole-5-carboxamide
CID 110765831
1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide
CID 95306915
3-(1,2-dimethylbenzimidazol-5-yl)-2-methyl-3-oxopropanoic acid
CID 116918248
1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
CID 110765853
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 94809037
N-[2-cyclopropyl-2-[(1,2-dimethylbenzimidazole-5-carbonyl)amino]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 60613963
N-[cyano-(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 75438483
4-(1,2-dimethylbenzimidazol-5-yl)-4-oxobutanenitrile
CID 116862122
1-methoxypropan-2-yl 1,2-dimethylbenzimidazole-5-carboxylate
CID 75521574

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide (CID 95236514) is N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide is COc1ccccc1[C@H](C#N)NC(=O)c1ccc2c(c1)nc(C)n2C.
What is the InChIKey of N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is QSBOQEUFIHTYAO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-21-15-10-13(8-9-17(15)23(12)2)19(24)22-16(11-20)14-6-4-5-7-18(14)25-3/h4-10,16H,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 95236514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).