N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide

C13H15N3O2 — CID 107973113

IUPACN-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide
SMILESCC(O)c1cccc(NC(=O)c2cn(C)cn2)c1
InChIInChI=1S/C13H15N3O2/c1-9(17)10-4-3-5-11(6-10)15-13(18)12-7-16(2)8-14-12/h3-9,17H,1-2H3,(H,15,18)
InChIKeyCTNRMXXGONBUBA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.73
Rot. Bonds3

About N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide

N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide (PubChem CID 107973113) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide
PubChem CID107973113
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide
SMILESCC(O)c1cccc(NC(=O)c2cn(C)cn2)c1
InChIInChI=1S/C13H15N3O2/c1-9(17)10-4-3-5-11(6-10)15-13(18)12-7-16(2)8-14-12/h3-9,17H,1-2H3,(H,15,18)
InChIKeyCTNRMXXGONBUBA-UHFFFAOYSA-N
XLogP1.73
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-aminoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 114022569
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
N-(3-carbamothioylphenyl)-1-methylimidazole-4-carboxamide
CID 107972144
3-ethyl-N-[3-(1-hydroxyethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 102810895
N-[3-(3-aminoprop-1-ynyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107974056
3-chloro-N-[3-[(1S)-1-hydroxyethyl]phenyl]benzamide
CID 27209859
N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 114022445
N-[4-[[3-(1-hydroxyethyl)phenyl]carbamothioylamino]phenyl]thiadiazole-4-carboxamide
CID 57284726
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 91676947
N-[2-(1-chloroethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975038
2-bromo-5-[(1-methylimidazole-4-carbonyl)amino]benzoic acid
CID 107971638
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide (CID 107973113) is N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide is CC(O)c1cccc(NC(=O)c2cn(C)cn2)c1.
What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide?
The InChIKey is CTNRMXXGONBUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(17)10-4-3-5-11(6-10)15-13(18)12-7-16(2)8-14-12/h3-9,17H,1-2H3,(H,15,18).
What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide?
N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 107973113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).