N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide

C20H23N3O — CID 5400747

IUPACN-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)Cn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-14(2)13-23-18-12-8-7-11-17(18)22-19(23)15(3)21-20(24)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyOGSYXISLOVNMEG-HNNXBMFYSA-N
MW321.42 g/mol
LogP4.18
Rot. Bonds5

About N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide

N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 5400747) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID5400747
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)Cn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H23N3O/c1-14(2)13-23-18-12-8-7-11-17(18)22-19(23)15(3)21-20(24)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyOGSYXISLOVNMEG-HNNXBMFYSA-N
XLogP4.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965365
4-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009618
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 40910160
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide (CID 5400747) is N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide is CC(C)Cn1c([C@H](C)NC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is OGSYXISLOVNMEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14(2)13-23-18-12-8-7-11-17(18)22-19(23)15(3)21-20(24)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide?
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 5400747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).