1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide

C15H18N4O3 — CID 22628457

IUPAC1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cccc(CCC(CO)n2cnc(C(N)=O)c2)c1
InChIInChI=1S/C15H18N4O3/c16-14(21)11-3-1-2-10(6-11)4-5-12(8-20)19-7-13(15(17)22)18-9-19/h1-3,6-7,9,12,20H,4-5,8H2,(H2,16,21)(H2,17,22)
InChIKeyDXBXZUDQIHCSLX-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.25
Rot. Bonds7

About 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide

1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide (PubChem CID 22628457) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide
PubChem CID22628457
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cccc(CCC(CO)n2cnc(C(N)=O)c2)c1
InChIInChI=1S/C15H18N4O3/c16-14(21)11-3-1-2-10(6-11)4-5-12(8-20)19-7-13(15(17)22)18-9-19/h1-3,6-7,9,12,20H,4-5,8H2,(H2,16,21)(H2,17,22)
InChIKeyDXBXZUDQIHCSLX-UHFFFAOYSA-N
XLogP0.25
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-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

3-(12-amino-12-oxododecyl)benzamide
CID 19832819
3-[3-(hydroxyamino)-3-oxopropyl]benzamide
CID 141465309
methane;3-(3-oxopropyl)benzamide
CID 178062718
3-(sulfanylmethyl)benzamide
CID 118350806
3-(2-methylpropyl)benzamide
CID 23130390
3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 173090462
3-[(6-oxopyrimidin-1-yl)methyl]benzamide
CID 113257340
3-(1-hydroxypropan-2-ylsulfanylmethyl)benzamide
CID 115659478
3-[3-(diethylamino)propyl]benzamide
CID 175291972
1-(2-hydroxy-5-naphthalen-2-ylpentyl)imidazole-4-carboxamide
CID 22628538
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777
3-[1-[(3-carbamoylphenyl)methyl]triazol-4-yl]propanoic acid
CID 107460604

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide (CID 22628457) is 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide is NC(=O)c1cccc(CCC(CO)n2cnc(C(N)=O)c2)c1.
What is the InChIKey of 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
The InChIKey is DXBXZUDQIHCSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-14(21)11-3-1-2-10(6-11)4-5-12(8-20)19-7-13(15(17)22)18-9-19/h1-3,6-7,9,12,20H,4-5,8H2,(H2,16,21)(H2,17,22).
What are the key properties of 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide?
1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-carbamoylphenyl)-1-hydroxybutan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 22628457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).