N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide

C11H11N3O2 — CID 114332839

IUPACN-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
SMILESO=C(NCc1ccccc1O)n1ccnc1
InChIInChI=1S/C11H11N3O2/c15-10-4-2-1-3-9(10)7-13-11(16)14-6-5-12-8-14/h1-6,8,15H,7H2,(H,13,16)
InChIKeyRGERAWZXYRUYPY-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.35
Rot. Bonds2

About N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide

N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide (PubChem CID 114332839) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
PubChem CID114332839
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
SMILESO=C(NCc1ccccc1O)n1ccnc1
InChIInChI=1S/C11H11N3O2/c15-10-4-2-1-3-9(10)7-13-11(16)14-6-5-12-8-14/h1-6,8,15H,7H2,(H,13,16)
InChIKeyRGERAWZXYRUYPY-UHFFFAOYSA-N
XLogP1.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
CID 81257132
N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide
CID 39869812
N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide
CID 176708269
N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
CID 81269387
N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide
CID 63295768
N-(3-pyridin-2-ylprop-2-enyl)imidazole-1-carboxamide
CID 70927134
N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide
CID 39871151
N-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole-1-carboxamide
CID 81257336
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]imidazole-1-carboxamide
CID 131101814
N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide
CID 66735798
hydron;imidazol-1-yl(phenyl)methanone
CID 131844425

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide (CID 114332839) is N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide is O=C(NCc1ccccc1O)n1ccnc1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide?
The InChIKey is RGERAWZXYRUYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10-4-2-1-3-9(10)7-13-11(16)14-6-5-12-8-14/h1-6,8,15H,7H2,(H,13,16).
What are the key properties of N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide?
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide is sourced from PubChem (CID 114332839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).