N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

C21H24N4O2 — CID 17029637

IUPACN-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)NC(=O)Cn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H24N4O2/c1-14(2)22-19(26)13-25-18-12-8-7-11-17(18)24-20(25)15(3)23-21(27)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyVHBWKVKHGRBEQZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.05
Rot. Bonds6

About N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide

N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17029637) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17029637
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)NC(=O)Cn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H24N4O2/c1-14(2)22-19(26)13-25-18-12-8-7-11-17(18)24-20(25)15(3)23-21(27)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyVHBWKVKHGRBEQZ-UHFFFAOYSA-N
XLogP3.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17029919
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
N-[1-[1-[2-oxo-2-(2-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 4001792
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967444
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 40910160
N-[1-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029665
N-[1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 5002112
N-[(1R)-1-[1-[2-(4-cyanoanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41102600

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17029637) is N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is CC(C)NC(=O)Cn1c(C(C)NC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is VHBWKVKHGRBEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)22-19(26)13-25-18-12-8-7-11-17(18)24-20(25)15(3)23-21(27)16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17029637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).