N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide

C16H21N3O2 — CID 162475309

IUPACN-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCC1CCC(O)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H21N3O2/c20-13-4-1-11(2-5-13)7-8-17-16(21)12-3-6-14-15(9-12)19-10-18-14/h3,6,9-11,13,20H,1-2,4-5,7-8H2,(H,17,21)(H,18,19)
InChIKeyKKGCRCXEGGJRTK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.23
Rot. Bonds4

About N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 162475309) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID162475309
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCC1CCC(O)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H21N3O2/c20-13-4-1-11(2-5-13)7-8-17-16(21)12-3-6-14-15(9-12)19-10-18-14/h3,6,9-11,13,20H,1-2,4-5,7-8H2,(H,17,21)(H,18,19)
InChIKeyKKGCRCXEGGJRTK-UHFFFAOYSA-N
XLogP2.23
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(2-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]-3H-benzimidazole-5-carboxamide
CID 91911279
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
7-(3H-benzimidazole-5-carbonylamino)heptanoic acid
CID 24701477
6-(3H-benzimidazole-5-carbonylamino)hexanoic acid
CID 24693312
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[(2-methylcyclopentyl)methyl]-3H-benzimidazole-5-carboxamide
CID 107420236
N-(4-aminobutyl)-3H-benzimidazole-5-carboxamide;hydrochloride
CID 162475318
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-[2-(diaminomethylideneamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 151125150
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 162475309) is N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide is O=C(NCCC1CCC(O)CC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KKGCRCXEGGJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-13-4-1-11(2-5-13)7-8-17-16(21)12-3-6-14-15(9-12)19-10-18-14/h3,6,9-11,13,20H,1-2,4-5,7-8H2,(H,17,21)(H,18,19).
What are the key properties of N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxycyclohexyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 162475309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).