7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide

C27H28N4O3 — CID 42166403

IUPAC7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2cc(C(=O)NC[C@@H](C)c3ccccc3)cc(NC(C)=O)c2n1C
InChIInChI=1S/C27H28N4O3/c1-17(19-10-6-5-7-11-19)16-28-27(33)20-14-22(29-18(2)32)25-23(15-20)30-26(31(25)3)21-12-8-9-13-24(21)34-4/h5-15,17H,16H2,1-4H3,(H,28,33)(H,29,32)/t17-/m1/s1
InChIKeyDCYFPOADNQZVLH-QGZVFWFLSA-N
MW456.55 g/mol
LogP4.74
Rot. Bonds7

About 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide

7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide (PubChem CID 42166403) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide
PubChem CID42166403
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2cc(C(=O)NC[C@@H](C)c3ccccc3)cc(NC(C)=O)c2n1C
InChIInChI=1S/C27H28N4O3/c1-17(19-10-6-5-7-11-19)16-28-27(33)20-14-22(29-18(2)32)25-23(15-20)30-26(31(25)3)21-12-8-9-13-24(21)34-4/h5-15,17H,16H2,1-4H3,(H,28,33)(H,29,32)/t17-/m1/s1
InChIKeyDCYFPOADNQZVLH-QGZVFWFLSA-N
XLogP4.74
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-(2-phenylpropyl)benzimidazole-5-carboxamide
CID 45188686
7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-2-phenylpropyl]benzimidazole-5-carboxamide
CID 42166404
7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]benzimidazole-5-carboxamide
CID 42363754
N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide
CID 125165468
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
1,3-dimethyl-2-oxo-N-[(2S)-2-phenylpropyl]quinoxaline-6-carboxamide
CID 95065720
3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119527646
N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
CID 47033004
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
3-acetamido-4-methoxy-N-(2-methylpropyl)benzamide
CID 110764209

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide?
The IUPAC name of 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide (CID 42166403) is 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide?
The canonical SMILES for 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide is COc1ccccc1-c1nc2cc(C(=O)NC[C@@H](C)c3ccccc3)cc(NC(C)=O)c2n1C.
What is the InChIKey of 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide?
The InChIKey is DCYFPOADNQZVLH-QGZVFWFLSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-17(19-10-6-5-7-11-19)16-28-27(33)20-14-22(29-18(2)32)25-23(15-20)30-26(31(25)3)21-12-8-9-13-24(21)34-4/h5-15,17H,16H2,1-4H3,(H,28,33)(H,29,32)/t17-/m1/s1.
What are the key properties of 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide?
7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-2-(2-methoxyphenyl)-1-methyl-N-[(2S)-2-phenylpropyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 42166403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).