N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide

C30H36N4O — CID 175290138

IUPACN,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
SMILESCc1ccc2[nH]c(-c3nc4ccccc4n3CC(=O)N(C3CCCCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C30H36N4O/c1-21-16-17-25-22(18-21)19-27(31-25)30-32-26-14-8-9-15-28(26)33(30)20-29(35)34(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h8-9,14-19,23-24,31H,2-7,10-13,20H2,1H3
InChIKeyFFJYVKWTHXLOHK-UHFFFAOYSA-N
MW468.65 g/mol
LogP6.99
Rot. Bonds5

About N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide

N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 175290138) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
PubChem CID175290138
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC NameN,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
SMILESCc1ccc2[nH]c(-c3nc4ccccc4n3CC(=O)N(C3CCCCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C30H36N4O/c1-21-16-17-25-22(18-21)19-27(31-25)30-32-26-14-8-9-15-28(26)33(30)20-29(35)34(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h8-9,14-19,23-24,31H,2-7,10-13,20H2,1H3
InChIKeyFFJYVKWTHXLOHK-UHFFFAOYSA-N
XLogP6.99
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
N,N-dicyclohexyl-2-[2-(6-methyl-3-pyridinyl)benzimidazol-1-yl]acetamide
CID 175290062
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-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290073
N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290003
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-cyclohexyl-N-ethyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 112781129
N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000129
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16974247

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide (CID 175290138) is N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide is Cc1ccc2[nH]c(-c3nc4ccccc4n3CC(=O)N(C3CCCCC3)C3CCCCC3)cc2c1.
What is the InChIKey of N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is FFJYVKWTHXLOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O/c1-21-16-17-25-22(18-21)19-27(31-25)30-32-26-14-8-9-15-28(26)33(30)20-29(35)34(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h8-9,14-19,23-24,31H,2-7,10-13,20H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 468.65 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).