N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide

C14H25N3O2 — CID 67144003

IUPACN-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCCCCCCC(C(C)O)N(C)C(=O)c1cnc[nH]1
InChIInChI=1S/C14H25N3O2/c1-4-5-6-7-8-13(11(2)18)17(3)14(19)12-9-15-10-16-12/h9-11,13,18H,4-8H2,1-3H3,(H,15,16)
InChIKeyJVPZOZWUXOJWFU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.20
Rot. Bonds8

About N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide

N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 67144003) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide
PubChem CID67144003
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide
SMILESCCCCCCC(C(C)O)N(C)C(=O)c1cnc[nH]1
InChIInChI=1S/C14H25N3O2/c1-4-5-6-7-8-13(11(2)18)17(3)14(19)12-9-15-10-16-12/h9-11,13,18H,4-8H2,1-3H3,(H,15,16)
InChIKeyJVPZOZWUXOJWFU-UHFFFAOYSA-N
XLogP2.20
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-hydroxynonan-3-yl)-N-methyl-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

N,N-dipentyl-1H-imidazole-5-carboxamide
CID 25129631
(8S)-1-(1H-imidazol-5-yl)-8-methyldecan-1-one
CID 169492699
3-(dimethylamino)decan-2-ol
CID 87744632
1-(1H-imidazol-5-yl)octadec-9-en-1-one
CID 54081693
1H-imidazole-5-carboxylic acid;pentan-1-amine
CID 174820099
3-(1H-imidazol-5-yl)nonyl carbamate
CID 57230034
ethane;1-(1H-imidazol-5-yl)propan-1-one
CID 145105684
N-[(2R)-2-hydroxypropyl]-1H-imidazole-5-carboxamide
CID 83031870
pentyl 9-[(5-heptadecan-9-yloxy-5-oxopentyl)-[4-(1H-imidazole-5-carbonylamino)butyl]amino]nonanoate
CID 171836765
N-(3-hydroxypentyl)-1H-imidazole-5-carboxamide
CID 115703669
methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
CID 62659533
1-(1H-imidazol-5-yl)-2-methylpropan-1-one
CID 10197729

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide (CID 67144003) is N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide is CCCCCCC(C(C)O)N(C)C(=O)c1cnc[nH]1.
What is the InChIKey of N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is JVPZOZWUXOJWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-5-6-7-8-13(11(2)18)17(3)14(19)12-9-15-10-16-12/h9-11,13,18H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide?
N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxynonan-3-yl)-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 67144003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).