N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide

C34H39N3O — CID 16987501

IUPACN,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H39N3O/c38-34(37(29-14-6-2-7-15-29)30-16-8-3-9-17-30)25-36-32-19-11-10-18-31(32)35-33(36)24-26-20-22-28(23-21-26)27-12-4-1-5-13-27/h1,4-5,10-13,18-23,29-30H,2-3,6-9,14-17,24-25H2
InChIKeyOYGBOZKBSXNBEP-UHFFFAOYSA-N
MW505.71 g/mol
LogP7.79
Rot. Bonds7

About N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide

N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide (PubChem CID 16987501) has the molecular formula C34H39N3O and a molecular weight of 505.71 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
PubChem CID16987501
Molecular FormulaC34H39N3O
Molecular Weight505.71 g/mol
Exact Mass505.31
IUPAC NameN,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H39N3O/c38-34(37(29-14-6-2-7-15-29)30-16-8-3-9-17-30)25-36-32-19-11-10-18-31(32)35-33(36)24-26-20-22-28(23-21-26)27-12-4-1-5-13-27/h1,4-5,10-13,18-23,29-30H,2-3,6-9,14-17,24-25H2
InChIKeyOYGBOZKBSXNBEP-UHFFFAOYSA-N
XLogP7.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.71
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064
N-benzyl-N-methyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987485
N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970743
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N,N-dicyclohexylacetamide
CID 16974247
N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006501
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
2-chloro-N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007564
N-cyclohexyl-N-methyl-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 16999536

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide (CID 16987501) is N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide is O=C(Cn1c(Cc2ccc(-c3ccccc3)cc2)nc2ccccc21)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide?
The InChIKey is OYGBOZKBSXNBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O/c38-34(37(29-14-6-2-7-15-29)30-16-8-3-9-17-30)25-36-32-19-11-10-18-31(32)35-33(36)24-26-20-22-28(23-21-26)27-12-4-1-5-13-27/h1,4-5,10-13,18-23,29-30H,2-3,6-9,14-17,24-25H2.
What are the key properties of N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide has a molecular weight of 505.71 g/mol, XLogP of 7.79, 7 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-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16987501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).