N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide

C29H37N3O3 — CID 175290073

IUPACN,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1cccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)c1OC
InChIInChI=1S/C29H37N3O3/c1-34-26-19-11-16-23(28(26)35-2)29-30-24-17-9-10-18-25(24)31(29)20-27(33)32(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h9-11,16-19,21-22H,3-8,12-15,20H2,1-2H3
InChIKeyXKWIFSCFFYJBGK-UHFFFAOYSA-N
MW475.63 g/mol
LogP6.21
Rot. Bonds7

About N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide

N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide (PubChem CID 175290073) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
PubChem CID175290073
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC NameN,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1cccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)c1OC
InChIInChI=1S/C29H37N3O3/c1-34-26-19-11-16-23(28(26)35-2)29-30-24-17-9-10-18-25(24)31(29)20-27(33)32(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h9-11,16-19,21-22H,3-8,12-15,20H2,1-2H3
InChIKeyXKWIFSCFFYJBGK-UHFFFAOYSA-N
XLogP6.21
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dicyclohexyl-2-[2-[2-(difluoromethoxy)phenyl]benzimidazol-1-yl]acetamide
CID 175290038
N,N-dicyclohexyl-2-[2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide
CID 175290028
N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290003
N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021
N,N-dicyclohexyl-2-[2-(3-methylfuran-2-yl)benzimidazol-1-yl]acetamide
CID 175289954
N,N-dicyclohexyl-2-[2-(6-methyl-3-pyridinyl)benzimidazol-1-yl]acetamide
CID 175290062
N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
N,N-dicyclohexyl-2-[2-(2,3-difluorophenyl)-6-fluorobenzimidazol-1-yl]acetamide
CID 175290124
N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
CID 175290138
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-cyclohexyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 112781129
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide (CID 175290073) is N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide is COc1cccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)c1OC.
What is the InChIKey of N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is XKWIFSCFFYJBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-34-26-19-11-16-23(28(26)35-2)29-30-24-17-9-10-18-25(24)31(29)20-27(33)32(21-12-5-3-6-13-21)22-14-7-4-8-15-22/h9-11,16-19,21-22H,3-8,12-15,20H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 475.63 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).