N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide

C28H34FN3O2 — CID 175290003

IUPACN,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)cc1F
InChIInChI=1S/C28H34FN3O2/c1-34-26-17-16-20(18-23(26)29)28-30-24-14-8-9-15-25(24)31(28)19-27(33)32(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h8-9,14-18,21-22H,2-7,10-13,19H2,1H3
InChIKeyRVHCDBPLZYPUGX-UHFFFAOYSA-N
MW463.60 g/mol
LogP6.34
Rot. Bonds6

About N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide

N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide (PubChem CID 175290003) has the molecular formula C28H34FN3O2 and a molecular weight of 463.60 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
PubChem CID175290003
Molecular FormulaC28H34FN3O2
Molecular Weight463.60 g/mol
Exact Mass463.26
IUPAC NameN,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)cc1F
InChIInChI=1S/C28H34FN3O2/c1-34-26-17-16-20(18-23(26)29)28-30-24-14-8-9-15-25(24)31(28)19-27(33)32(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h8-9,14-18,21-22H,2-7,10-13,19H2,1H3
InChIKeyRVHCDBPLZYPUGX-UHFFFAOYSA-N
XLogP6.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.60
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021
N,N-dicyclohexyl-2-(2-naphthalen-2-ylbenzimidazol-1-yl)acetamide
CID 174570409
N,N-dicyclohexyl-2-[2-(2,3-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 175290073
N,N-dicyclohexyl-2-[2-(6-methyl-3-pyridinyl)benzimidazol-1-yl]acetamide
CID 175290062
N,N-dicyclohexyl-2-[2-[2-(difluoromethoxy)phenyl]benzimidazol-1-yl]acetamide
CID 175290038
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-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]benzimidazol-1-yl]acetamide
CID 175290028
N,N-dicyclohexyl-2-[2-(5-methyl-1H-indol-2-yl)benzimidazol-1-yl]acetamide
CID 175290138
5-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]pentylboronic acid
CID 11610087
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
methyl 3-[cyclohexyl-[2-[2-(4-methoxycarbonylphenyl)benzimidazol-1-yl]acetyl]amino]benzoate;hydrochloride
CID 175289970

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide (CID 175290003) is N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide is COc1ccc(-c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)cc1F.
What is the InChIKey of N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is RVHCDBPLZYPUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O2/c1-34-26-17-16-20(18-23(26)29)28-30-24-14-8-9-15-25(24)31(28)19-27(33)32(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h8-9,14-18,21-22H,2-7,10-13,19H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide?
N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 463.60 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[2-(3-fluoro-4-methoxyphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).