N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide

C26H28ClN3O3 — CID 18733750

IUPACN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide
SMILESO=C(c1ccc2c(c1)OCO2)N(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C1CCCC1
InChIInChI=1S/C26H28ClN3O3/c27-18-10-11-21-22(14-18)30(20-7-3-4-8-20)25(28-21)15-29(19-5-1-2-6-19)26(31)17-9-12-23-24(13-17)33-16-32-23/h9-14,19-20H,1-8,15-16H2
InChIKeyVNIKPTOPFANFPS-UHFFFAOYSA-N
MW465.98 g/mol
LogP6.12
Rot. Bonds5

About N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide

N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide (PubChem CID 18733750) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide
PubChem CID18733750
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide
SMILESO=C(c1ccc2c(c1)OCO2)N(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C1CCCC1
InChIInChI=1S/C26H28ClN3O3/c27-18-10-11-21-22(14-18)30(20-7-3-4-8-20)25(28-21)15-29(19-5-1-2-6-19)26(31)17-9-12-23-24(13-17)33-16-32-23/h9-14,19-20H,1-8,15-16H2
InChIKeyVNIKPTOPFANFPS-UHFFFAOYSA-N
XLogP6.12
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide with MolForge

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Related Compounds

(2-Amino-benzoimidazol-1-yl)-(3,4-dimethoxy-phenyl)-methanone
CID 24746866
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
1,3-Benzodioxol-5-yl-(5,6-dimethylbenzimidazol-1-yl)methanone
CID 660175
(3,4-Dimethoxy-phenyl)-[4-(5-fluoro-2-methyl-benzoimidazol-1-yl)-piperidin-1-yl]-methanone
CID 644855
N-[2-(1-ethyl-1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
N-{(Z)-2-Benzo[1,3]dioxol-5-yl-1-[2-(1H-benzoimidazol-2-yl)-ethylcarbamoyl]-vinyl}-2-chloro-benzamide
CID 6524333
1,3-benzodioxol-5-yl{1-[(1-methyl-1H-benzimidazol-2-yl)methyl]-3-piperidinyl}methanone
CID 16191313
[6-Chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 1,3-benzodioxole-5-carboxylate
CID 2997560
N-[1-(1-ethyl-1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3236285
N-{[1-(2-fluorobenzyl)-1H-benzimidazol-2-yl]methyl}-3,4-dimethoxybenzamide
CID 4753708
N-[1-(5-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)vinyl]benzamide
CID 6264652
N-[3-(1H-benzimidazol-2-ylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 122179126

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide (CID 18733750) is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide is O=C(c1ccc2c(c1)OCO2)N(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C1CCCC1.
What is the InChIKey of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is VNIKPTOPFANFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c27-18-10-11-21-22(14-18)30(20-7-3-4-8-20)25(28-21)15-29(19-5-1-2-6-19)26(31)17-9-12-23-24(13-17)33-16-32-23/h9-14,19-20H,1-8,15-16H2.
What are the key properties of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide?
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 465.98 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-N-cyclopentyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 18733750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).