N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide

C14H17N3O2 — CID 112528043

IUPACN-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CCC(O)CC1
InChIInChI=1S/C14H17N3O2/c18-10-7-5-9(6-8-10)13(19)17-14-15-11-3-1-2-4-12(11)16-14/h1-4,9-10,18H,5-8H2,(H2,15,16,17,19)
InChIKeyBTCCUSNHTUBLSR-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.05
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide

N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide (PubChem CID 112528043) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
PubChem CID112528043
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CCC(O)CC1
InChIInChI=1S/C14H17N3O2/c18-10-7-5-9(6-8-10)13(19)17-14-15-11-3-1-2-4-12(11)16-14/h1-4,9-10,18H,5-8H2,(H2,15,16,17,19)
InChIKeyBTCCUSNHTUBLSR-UHFFFAOYSA-N
XLogP2.05
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
N-(1H-benzimidazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089285
N-(1H-benzimidazol-2-yl)-3-methyloxolane-2-carboxamide
CID 81448599
N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 146124527
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76999436
(1'S,5'R)-N-(1H-benzimidazol-2-yl)spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 25438128
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47044809
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide (CID 112528043) is N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1CCC(O)CC1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is BTCCUSNHTUBLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-10-7-5-9(6-8-10)13(19)17-14-15-11-3-1-2-4-12(11)16-14/h1-4,9-10,18H,5-8H2,(H2,15,16,17,19).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide?
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 112528043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).