N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide

C17H21N3O2 — CID 111459853

IUPACN-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1cncn1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c21-15-8-4-5-13(9-15)10-19-17(22)16-11-18-12-20(16)14-6-2-1-3-7-14/h1-3,6-7,11-13,15,21H,4-5,8-10H2,(H,19,22)
InChIKeyVAKYEPQHKBAMKX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.15
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide (PubChem CID 111459853) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide
PubChem CID111459853
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1cncn1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c21-15-8-4-5-13(9-15)10-19-17(22)16-11-18-12-20(16)14-6-2-1-3-7-14/h1-3,6-7,11-13,15,21H,4-5,8-10H2,(H,19,22)
InChIKeyVAKYEPQHKBAMKX-UHFFFAOYSA-N
XLogP2.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(piperidin-3-ylmethyl)imidazole-4-carboxamide
CID 119464372
1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
CID 71898793
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 113241315
N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 111460488
3-(4-chlorophenyl)-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 96509284
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-2-(1-phenylpyrazol-4-yl)acetamide
CID 111459881
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-(4-hydroxybutyl)-3-phenylimidazole-4-carboxamide
CID 106843413

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide (CID 111459853) is N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide is O=C(NCC1CCCC(O)C1)c1cncn1-c1ccccc1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is VAKYEPQHKBAMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-15-8-4-5-13(9-15)10-19-17(22)16-11-18-12-20(16)14-6-2-1-3-7-14/h1-3,6-7,11-13,15,21H,4-5,8-10H2,(H,19,22).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 111459853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).