N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide

C21H21F2N3O2 — CID 118096524

IUPACN-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H21F2N3O2/c22-21(23)28-16-9-6-14(7-10-16)20(27)24-15-8-11-17-18(12-15)26-19(25-17)13-4-2-1-3-5-13/h6-13,21H,1-5H2,(H,24,27)(H,25,26)
InChIKeyXTVPWEZRXNAROJ-UHFFFAOYSA-N
MW385.41 g/mol
LogP5.46
Rot. Bonds5

About N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide (PubChem CID 118096524) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
PubChem CID118096524
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC NameN-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H21F2N3O2/c22-21(23)28-16-9-6-14(7-10-16)20(27)24-15-8-11-17-18(12-15)26-19(25-17)13-4-2-1-3-5-13/h6-13,21H,1-5H2,(H,24,27)(H,25,26)
InChIKeyXTVPWEZRXNAROJ-UHFFFAOYSA-N
XLogP5.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.41
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexyl-3H-benzimidazol-5-yl)-3-methoxybenzamide;N-methylmethanamine
CID 118096520
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethoxy)benzamide;N-methylmethanamine
CID 118096485
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2-fluoro-4-(trifluoromethyl)benzamide
CID 118096469
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60613246
2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid
CID 119183366
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide
CID 47825987
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-2,3-difluoro-4-(trifluoromethyl)benzamide;N-methylmethanamine
CID 118096420

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide?
The IUPAC name of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide (CID 118096524) is N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide is O=C(Nc1ccc2nc(C3CCCCC3)[nH]c2c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide?
The InChIKey is XTVPWEZRXNAROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c22-21(23)28-16-9-6-14(7-10-16)20(27)24-15-8-11-17-18(12-15)26-19(25-17)13-4-2-1-3-5-13/h6-13,21H,1-5H2,(H,24,27)(H,25,26).
What are the key properties of N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide?
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide has a molecular weight of 385.41 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-3H-benzimidazol-5-yl)-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 118096524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).