N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide

C31H37N3O — CID 68887043

IUPACN,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccc3ccccc3c2)Nc2ccccc2N1
InChIInChI=1S/C31H37N3O/c35-30(32-26-15-5-2-6-16-26)29(23-12-3-1-4-13-23)31(33-27-17-9-10-18-28(27)34-31)25-20-19-22-11-7-8-14-24(22)21-25/h7-11,14,17-21,23,26,29,33-34H,1-6,12-13,15-16H2,(H,32,35)
InChIKeyICTCLWMYUJEMKD-UHFFFAOYSA-N
MW467.66 g/mol
LogP7.18
Rot. Bonds5

About N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide

N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide (PubChem CID 68887043) has the molecular formula C31H37N3O and a molecular weight of 467.66 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide
PubChem CID68887043
Molecular FormulaC31H37N3O
Molecular Weight467.66 g/mol
Exact Mass467.29
IUPAC NameN,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccc3ccccc3c2)Nc2ccccc2N1
InChIInChI=1S/C31H37N3O/c35-30(32-26-15-5-2-6-16-26)29(23-12-3-1-4-13-23)31(33-27-17-9-10-18-28(27)34-31)25-20-19-22-11-7-8-14-24(22)21-25/h7-11,14,17-21,23,26,29,33-34H,1-6,12-13,15-16H2,(H,32,35)
InChIKeyICTCLWMYUJEMKD-UHFFFAOYSA-N
XLogP7.18
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 57.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dicyclohexyl-2-[2-(3,4-dimethylphenyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68887889
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclohexylacetamide
CID 68889730
2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68888846
N,2-dicyclohexyl-2-[2-(3-methylfuran-2-yl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68890623
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-(3-chloro-4-methoxyphenyl)-5-methoxy-1,3-dihydrobenzimidazol-2-yl]-N,2-dicyclopentylacetamide
CID 68886346
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-(4-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-4-methylpentanamide
CID 68886192
N,2-dicyclohexyl-2-[5,6-difluoro-2-(2-phenylethyl)-1,3-dihydrobenzimidazol-2-yl]acetamide
CID 68730718

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide?
The IUPAC name of N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide (CID 68887043) is N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide is O=C(NC1CCCCC1)C(C1CCCCC1)C1(c2ccc3ccccc3c2)Nc2ccccc2N1.
What is the InChIKey of N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide?
The InChIKey is ICTCLWMYUJEMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O/c35-30(32-26-15-5-2-6-16-26)29(23-12-3-1-4-13-23)31(33-27-17-9-10-18-28(27)34-31)25-20-19-22-11-7-8-14-24(22)21-25/h7-11,14,17-21,23,26,29,33-34H,1-6,12-13,15-16H2,(H,32,35).
What are the key properties of N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide?
N,2-dicyclohexyl-2-(2-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide has a molecular weight of 467.66 g/mol, XLogP of 7.18, 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-naphthalen-2-yl-1,3-dihydrobenzimidazol-2-yl)acetamide is sourced from PubChem (CID 68887043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).