N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide

C31H35N3O — CID 174570409

IUPACN,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccc3ccccc3c2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H35N3O/c35-30(34(26-13-3-1-4-14-26)27-15-5-2-6-16-27)22-33-29-18-10-9-17-28(29)32-31(33)25-20-19-23-11-7-8-12-24(23)21-25/h7-12,17-21,26-27H,1-6,13-16,22H2
InChIKeyLLGNHCXGWZZLDB-UHFFFAOYSA-N
MW465.64 g/mol
LogP7.35
Rot. Bonds5

About N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide

N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 174570409) has the molecular formula C31H35N3O and a molecular weight of 465.64 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
PubChem CID174570409
Molecular FormulaC31H35N3O
Molecular Weight465.64 g/mol
Exact Mass465.28
IUPAC NameN,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccc3ccccc3c2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H35N3O/c35-30(34(26-13-3-1-4-14-26)27-15-5-2-6-16-27)22-33-29-18-10-9-17-28(29)32-31(33)25-20-19-23-11-7-8-12-24(23)21-25/h7-12,17-21,26-27H,1-6,13-16,22H2
InChIKeyLLGNHCXGWZZLDB-UHFFFAOYSA-N
XLogP7.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021
N,N-dicyclohexyl-2-[2-(6-methyl-3-pyridinyl)benzimidazol-1-yl]acetamide
CID 175290062
N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290003
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
N,N-dicyclohexyl-2-[2-(3-methylfuran-2-yl)benzimidazol-1-yl]acetamide
CID 175289954
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290073
N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
CID 175290138
N,N-dicyclohexyl-2-[2-[2-(difluoromethoxy)phenyl]benzimidazol-1-yl]acetamide
CID 175290038
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000129
N-benzyl-2-[2-(3-chlorophenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
CID 17002085

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide (CID 174570409) is N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccc3ccccc3c2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is LLGNHCXGWZZLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O/c35-30(34(26-13-3-1-4-14-26)27-15-5-2-6-16-27)22-33-29-18-10-9-17-28(29)32-31(33)25-20-19-23-11-7-8-12-24(23)21-25/h7-12,17-21,26-27H,1-6,13-16,22H2.
What are the key properties of N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide?
N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 465.64 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 174570409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).