N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide

C29H39N3O — CID 68887889

IUPACN,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCc1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cc1C
InChIInChI=1S/C29H39N3O/c1-20-17-18-23(19-21(20)2)29(31-25-15-9-10-16-26(25)32-29)27(22-11-5-3-6-12-22)28(33)30-24-13-7-4-8-14-24/h9-10,15-19,22,24,27,31-32H,3-8,11-14H2,1-2H3,(H,30,33)
InChIKeyRTZCSQUQGBOMMH-UHFFFAOYSA-N
MW445.65 g/mol
LogP6.64
Rot. Bonds5

About N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide

N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide (PubChem CID 68887889) has the molecular formula C29H39N3O and a molecular weight of 445.65 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
PubChem CID68887889
Molecular FormulaC29H39N3O
Molecular Weight445.65 g/mol
Exact Mass445.31
IUPAC NameN,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
SMILESCc1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cc1C
InChIInChI=1S/C29H39N3O/c1-20-17-18-23(19-21(20)2)29(31-25-15-9-10-16-26(25)32-29)27(22-11-5-3-6-12-22)28(33)30-24-13-7-4-8-14-24/h9-10,15-19,22,24,27,31-32H,3-8,11-14H2,1-2H3,(H,30,33)
InChIKeyRTZCSQUQGBOMMH-UHFFFAOYSA-N
XLogP6.64
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-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,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,2-dicyclohexylacetamide
CID 68889730
N,2-dicyclohexyl-2-[2-(3-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68890623
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68888846
4-[[2-cyclohexyl-2-[5,6-difluoro-2-(4-methylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 68730093
2-[2-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide
CID 68886346
N,2-dicyclohexyl-2-[2-(7-ethoxy-1-benzofuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68886012
2-[2-(4-chloro-3-fluorophenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-2-cyclohexyl-N-cyclopentylacetamide
CID 68885781
2-[2-(2-chlorophenyl)-5,6-difluoro-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68887472
N,2-dicyclohexyl-2-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68888492
2-[2-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide
CID 68886192
N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68728815

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide (CID 68887889) is N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide is Cc1ccc(C2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccccc3N2)cc1C.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
The InChIKey is RTZCSQUQGBOMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O/c1-20-17-18-23(19-21(20)2)29(31-25-15-9-10-16-26(25)32-29)27(22-11-5-3-6-12-22)28(33)30-24-13-7-4-8-14-24/h9-10,15-19,22,24,27,31-32H,3-8,11-14H2,1-2H3,(H,30,33).
What are the key properties of N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide?
N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide has a molecular weight of 445.65 g/mol, XLogP of 6.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide is sourced from PubChem (CID 68887889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).