2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide

C17H24N4O2 — CID 127050565

IUPAC2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide
SMILESCNCCn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C17H24N4O2/c1-19-8-9-21-15-7-4-12(16(18)23)10-14(15)20-17(21)11-2-5-13(22)6-3-11/h4,7,10-11,13,19,22H,2-3,5-6,8-9H2,1H3,(H2,18,23)
InChIKeyJJSWBDODYQEHNP-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.37
Rot. Bonds5

About 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide

2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide (PubChem CID 127050565) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide
PubChem CID127050565
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide
SMILESCNCCn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C17H24N4O2/c1-19-8-9-21-15-7-4-12(16(18)23)10-14(15)20-17(21)11-2-5-13(22)6-3-11/h4,7,10-11,13,19,22H,2-3,5-6,8-9H2,1H3,(H2,18,23)
InChIKeyJJSWBDODYQEHNP-UHFFFAOYSA-N
XLogP1.37
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tsr-011
CID 57345941
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-(4-methoxycyclohexyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10221158
N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10142476
N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-nitrobenzamide
CID 10278151
4-fluoro-N-[6-[[(2-hydroxy-2-methylpropyl)amino]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
CID 56650694
Ethyl 4-[2-benzamido-6-(piperidin-1-ylmethyl)benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 56653076
TSR-011-isomer
CID 57329726
3-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
CID 60195911
Mls000756290
CID 292579
[2-Amino-1-(Piperidin-4-Ylmethyl)-1h-Benzimidazol-6-Yl](Phenyl)methanone
CID 56835765
Methyl Cis-4-[2-(Benzoylamino)-6-(Piperidin-1-Ylmethyl)-1h-Benzimidazol-1-Yl]cyclohexanecarboxylate
CID 57345940

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide (CID 127050565) is 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide is CNCCn1c(C2CCC(O)CC2)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide?
The InChIKey is JJSWBDODYQEHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19-8-9-21-15-7-4-12(16(18)23)10-14(15)20-17(21)11-2-5-13(22)6-3-11/h4,7,10-11,13,19,22H,2-3,5-6,8-9H2,1H3,(H2,18,23).
What are the key properties of 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide?
2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-1-[2-(methylamino)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 127050565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).