1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide

C18H19N3O — CID 110765787

IUPAC1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NC(C)c3ccccc3)ccc2n1C
InChIInChI=1S/C18H19N3O/c1-12(14-7-5-4-6-8-14)19-18(22)15-9-10-17-16(11-15)20-13(2)21(17)3/h4-12H,1-3H3,(H,19,22)
InChIKeyUEFDGCLERFFPSB-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.37
Rot. Bonds3

About 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide

1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide (PubChem CID 110765787) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
PubChem CID110765787
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NC(C)c3ccccc3)ccc2n1C
InChIInChI=1S/C18H19N3O/c1-12(14-7-5-4-6-8-14)19-18(22)15-9-10-17-16(11-15)20-13(2)21(17)3/h4-12H,1-3H3,(H,19,22)
InChIKeyUEFDGCLERFFPSB-UHFFFAOYSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1,2-dimethyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzimidazole-5-carboxamide
CID 95139049
3-(1,2-dimethylbenzimidazol-5-yl)-2-methyl-3-oxopropanoic acid
CID 116918248
N-[(R)-cyano-(2-methoxyphenyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 95236514
1,2-dimethyl-N-pyrimidin-2-ylbenzimidazole-5-carboxamide
CID 110765853
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
2-methyl-2-[3-[[2-methyl-5-[[(1S)-1-phenylethyl]carbamoyl]benzimidazol-1-yl]methyl]phenoxy]propanoic acid
CID 175635955
N-[2-cyclopropyl-2-[(1,2-dimethylbenzimidazole-5-carbonyl)amino]ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 60613963
2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 110765208
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
CID 92877606

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide (CID 110765787) is 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NC(C)c3ccccc3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide?
The InChIKey is UEFDGCLERFFPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(14-7-5-4-6-8-14)19-18(22)15-9-10-17-16(11-15)20-13(2)21(17)3/h4-12H,1-3H3,(H,19,22).
What are the key properties of 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide?
1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(1-phenylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 110765787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).