2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide

C21H24N4O3 — CID 4895369

IUPAC2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
SMILESCCC(=O)NCCc1nc2cc(NC(=O)c3ccccc3OC)ccc2n1C
InChIInChI=1S/C21H24N4O3/c1-4-20(26)22-12-11-19-24-16-13-14(9-10-17(16)25(19)2)23-21(27)15-7-5-6-8-18(15)28-3/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyKNLKIZWBUXUROL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.90
Rot. Bonds7

About 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide

2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide (PubChem CID 4895369) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
PubChem CID4895369
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide
SMILESCCC(=O)NCCc1nc2cc(NC(=O)c3ccccc3OC)ccc2n1C
InChIInChI=1S/C21H24N4O3/c1-4-20(26)22-12-11-19-24-16-13-14(9-10-17(16)25(19)2)23-21(27)15-7-5-6-8-18(15)28-3/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyKNLKIZWBUXUROL-UHFFFAOYSA-N
XLogP2.90
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(2,2-dimethylpropanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 46270417
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 4887664
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
2-ethyl-N-[2-[1-methyl-5-[[2-(2-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]butanamide
CID 50751924
N-[2-[5-[(2-chlorobenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50751454
N-[2-(4-fluorophenyl)-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 169245071
N-[2-[2-(2-ethylbutanoylamino)ethyl]-1-methylbenzimidazol-5-yl]benzamide
CID 50751836
N-[2-[5-[(3,4-dimethoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 50751908
2-methoxy-N-(1-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245109
4-methoxy-5-[5-[(2-methoxybenzoyl)amino]-1-methylbenzimidazol-2-yl]-N,N,1-trimethylpyrrole-3-carboxamide
CID 45490510

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide?
The IUPAC name of 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide (CID 4895369) is 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide is CCC(=O)NCCc1nc2cc(NC(=O)c3ccccc3OC)ccc2n1C.
What is the InChIKey of 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide?
The InChIKey is KNLKIZWBUXUROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-4-20(26)22-12-11-19-24-16-13-14(9-10-17(16)25(19)2)23-21(27)15-7-5-6-8-18(15)28-3/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide?
2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-methyl-2-[2-(propanoylamino)ethyl]benzimidazol-5-yl]benzamide is sourced from PubChem (CID 4895369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).