N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide

C14H16ClN3O — CID 84581323

IUPACN-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2nc(Cl)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-14-17-11-7-6-10(8-12(11)18-14)16-13(19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,19)(H,17,18)
InChIKeyWXKUYKYENOUNGD-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.74
Rot. Bonds2

About N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide

N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide (PubChem CID 84581323) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
PubChem CID84581323
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2nc(Cl)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-14-17-11-7-6-10(8-12(11)18-14)16-13(19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,19)(H,17,18)
InChIKeyWXKUYKYENOUNGD-UHFFFAOYSA-N
XLogP3.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53276569
N-cyclooctyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide
CID 142169240
N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 166218130
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide
CID 84581968
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide (CID 84581323) is N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide is O=C(Nc1ccc2nc(Cl)[nH]c2c1)C1CCCCC1.
What is the InChIKey of N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
The InChIKey is WXKUYKYENOUNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-14-17-11-7-6-10(8-12(11)18-14)16-13(19)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,16,19)(H,17,18).
What are the key properties of N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide?
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 84581323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).