2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide

C27H34ClN3O3 — CID 68886346

IUPAC2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide
SMILESCOc1ccc2c(c1)NC(c1ccc(OC)c(Cl)c1)(C(C(=O)NC1CCCC1)C1CCCC1)N2
InChIInChI=1S/C27H34ClN3O3/c1-33-20-12-13-22-23(16-20)31-27(30-22,18-11-14-24(34-2)21(28)15-18)25(17-7-3-4-8-17)26(32)29-19-9-5-6-10-19/h11-17,19,25,30-31H,3-10H2,1-2H3,(H,29,32)
InChIKeyPHDZZARCZPUANU-UHFFFAOYSA-N
MW484.04 g/mol
LogP5.91
Rot. Bonds7

About 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide

2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide (PubChem CID 68886346) has the molecular formula C27H34ClN3O3 and a molecular weight of 484.04 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide
PubChem CID68886346
Molecular FormulaC27H34ClN3O3
Molecular Weight484.04 g/mol
Exact Mass483.23
IUPAC Name2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide
SMILESCOc1ccc2c(c1)NC(c1ccc(OC)c(Cl)c1)(C(C(=O)NC1CCCC1)C1CCCC1)N2
InChIInChI=1S/C27H34ClN3O3/c1-33-20-12-13-22-23(16-20)31-27(30-22,18-11-14-24(34-2)21(28)15-18)25(17-7-3-4-8-17)26(32)29-19-9-5-6-10-19/h11-17,19,25,30-31H,3-10H2,1-2H3,(H,29,32)
InChIKeyPHDZZARCZPUANU-UHFFFAOYSA-N
XLogP5.91
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.04
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide
CID 68885781
2-[2-(5-chlorothiophen-2-yl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68887165
N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68888492
N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide
CID 68887043
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 68887519
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68888846
2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68887472
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
4-[[2-cyclohexyl-2-[5,6-difluoro-2-(4-methylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 68730093
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide?
The IUPAC name of 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide (CID 68886346) is 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide.
What is the SMILES notation for 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide?
The canonical SMILES for 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide is COc1ccc2c(c1)NC(c1ccc(OC)c(Cl)c1)(C(C(=O)NC1CCCC1)C1CCCC1)N2.
What is the InChIKey of 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide?
The InChIKey is PHDZZARCZPUANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN3O3/c1-33-20-12-13-22-23(16-20)31-27(30-22,18-11-14-24(34-2)21(28)15-18)25(17-7-3-4-8-17)26(32)29-19-9-5-6-10-19/h11-17,19,25,30-31H,3-10H2,1-2H3,(H,29,32).
What are the key properties of 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide?
2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide has a molecular weight of 484.04 g/mol, XLogP of 5.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide is sourced from PubChem (CID 68886346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).