N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide

C9H15N3O2 — CID 115703669

IUPACN-(3-hydroxypentyl)-1H-imidazole-5-carboxamide
SMILESCCC(O)CCNC(=O)c1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-7(13)3-4-11-9(14)8-5-10-6-12-8/h5-7,13H,2-4H2,1H3,(H,10,12)(H,11,14)
InChIKeyXROKMKHBHXYIFT-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.30
Rot. Bonds5

About N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide

N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide (PubChem CID 115703669) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-1H-imidazole-5-carboxamide
PubChem CID115703669
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(3-hydroxypentyl)-1H-imidazole-5-carboxamide
SMILESCCC(O)CCNC(=O)c1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c1-2-7(13)3-4-11-9(14)8-5-10-6-12-8/h5-7,13H,2-4H2,1H3,(H,10,12)(H,11,14)
InChIKeyXROKMKHBHXYIFT-UHFFFAOYSA-N
XLogP0.30
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxypentyl)-1H-imidazole-5-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

1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxylic acid methylamide
CID 14888745
N-(2-hydroxyethyl)-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide
CID 14888748
5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
CID 155201791
5-N-[4-(diaminomethylideneamino)butyl]-2-N-hexyl-1H-imidazole-2,5-dicarboxamide
CID 155201882
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
1-(2-hydroxynonan-3-yl)-N-[(2S)-2-hydroxypropyl]imidazole-4-carboxamide
CID 14888750
5-N-[4-(diaminomethylideneamino)butyl]-2-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide
CID 168297962
N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
CID 65940567
N-(1-Methylethyl)-1H-imidazole-5-carboxamide
CID 18976076
1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxylic acid ethylamide
CID 14888746
1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxylic acid propylamide
CID 14888747
1-(2-hydroxynonan-3-yl)-N-[(2R)-2-hydroxypropyl]imidazole-4-carboxamide
CID 14888751

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide (CID 115703669) is N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide is CCC(O)CCNC(=O)c1cnc[nH]1.
What is the InChIKey of N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide?
The InChIKey is XROKMKHBHXYIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-7(13)3-4-11-9(14)8-5-10-6-12-8/h5-7,13H,2-4H2,1H3,(H,10,12)(H,11,14).
What are the key properties of N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide?
N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 115703669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).