4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide

C26H31ClN4O3 — CID 58743010

IUPAC4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21
InChIInChI=1S/C26H31ClN4O3/c1-30(24(32)16-18-6-3-4-7-18)21-12-13-23-22(17-21)28-26(31(23)14-5-15-34-2)29-25(33)19-8-10-20(27)11-9-19/h8-13,17-18H,3-7,14-16H2,1-2H3,(H,28,29,33)
InChIKeyNSCQTJWYDJLZTR-UHFFFAOYSA-N
MW483.01 g/mol
LogP5.52
Rot. Bonds9

About 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide

4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide (PubChem CID 58743010) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
PubChem CID58743010
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC Name4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21
InChIInChI=1S/C26H31ClN4O3/c1-30(24(32)16-18-6-3-4-7-18)21-12-13-23-22(17-21)28-26(31(23)14-5-15-34-2)29-25(33)19-8-10-20(27)11-9-19/h8-13,17-18H,3-7,14-16H2,1-2H3,(H,28,29,33)
InChIKeyNSCQTJWYDJLZTR-UHFFFAOYSA-N
XLogP5.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.01
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
CID 58742504
N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]cyclohexanecarboxamide
CID 58742554
N-[1-(2-aminoethyl)-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide
CID 58742894
4-cyano-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(3-methoxypyrrolidin-1-yl)propyl]benzimidazol-2-yl]benzamide
CID 142860856
N-[1-[2-[acetyl(methyl)amino]ethyl]-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide
CID 58742545
N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-4-[(3-oxopiperazin-1-yl)methyl]benzamide
CID 58742675
N-[5-[(2-cyclopentylacetyl)-methylamino]-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazol-2-yl]-3-(hydroxymethyl)benzamide
CID 58742704
N-[1-(3-amino-3-oxopropyl)-5-[(2-cyclopentylacetyl)-methylamino]benzimidazol-2-yl]cyclopentene-1-carboxamide
CID 58742723
4-cyano-N-[5-[[cyclopentylmethyl(methyl)amino]methyl]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide
CID 44589642
4-azido-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropyl)benzimidazol-2-yl]-2,3,5,6-tetrafluorobenzamide
CID 58742731
2-[(4-chlorobenzoyl)amino]-N-cyclohexyl-N-methyl-1-(3-oxobutyl)benzimidazole-5-carboxamide
CID 59083099
N-[2-[(4-cyanophenyl)carbamoylamino]-1-(3-hydroxy-3-methylbutyl)benzimidazol-5-yl]-2-cyclopentyl-N-methylacetamide
CID 71259313

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide (CID 58743010) is 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide is COCCCn1c(NC(=O)c2ccc(Cl)cc2)nc2cc(N(C)C(=O)CC3CCCC3)ccc21.
What is the InChIKey of 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide?
The InChIKey is NSCQTJWYDJLZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-30(24(32)16-18-6-3-4-7-18)21-12-13-23-22(17-21)28-26(31(23)14-5-15-34-2)29-25(33)19-8-10-20(27)11-9-19/h8-13,17-18H,3-7,14-16H2,1-2H3,(H,28,29,33).
What are the key properties of 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide?
4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide has a molecular weight of 483.01 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[(2-cyclopentylacetyl)-methylamino]-1-(3-methoxypropyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 58743010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).