N-(4-octylphenyl)-1H-imidazole-5-carboxamide

C18H25N3O — CID 177471524

IUPACN-(4-octylphenyl)-1H-imidazole-5-carboxamide
SMILESCCCCCCCCc1ccc(NC(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C18H25N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-18(22)17-13-19-14-20-17/h9-14H,2-8H2,1H3,(H,19,20)(H,21,22)
InChIKeyIZTYDICDQLIXRU-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.57
Rot. Bonds9

About N-(4-octylphenyl)-1H-imidazole-5-carboxamide

N-(4-octylphenyl)-1H-imidazole-5-carboxamide (PubChem CID 177471524) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(4-octylphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-octylphenyl)-1H-imidazole-5-carboxamide
PubChem CID177471524
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(4-octylphenyl)-1H-imidazole-5-carboxamide
SMILESCCCCCCCCc1ccc(NC(=O)c2cnc[nH]2)cc1
InChIInChI=1S/C18H25N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-18(22)17-13-19-14-20-17/h9-14H,2-8H2,1H3,(H,19,20)(H,21,22)
InChIKeyIZTYDICDQLIXRU-UHFFFAOYSA-N
XLogP4.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-(3,4,5-tris-decoxyphenyl)-1H-imidazole-5-carboxamide
CID 101481437
N-(1H-imidazol-5-ylmethyl)-4-pentylaniline
CID 55109450
5-amino-N-(4-octylphenyl)furan-2-carboxamide
CID 142608726
N-(4-heptylphenyl)heptanamide
CID 101077737
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
CID 60630583
N'-(4-dodecylphenyl)oxamide
CID 118096540
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
CID 46890697
N-[2-amino-1-[2-(1H-imidazol-5-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide
CID 139561630
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798
1-(4-heptylphenyl)-3-propylurea
CID 142021842

Frequently Asked Questions

What is the IUPAC name of N-(4-octylphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-(4-octylphenyl)-1H-imidazole-5-carboxamide (CID 177471524) is N-(4-octylphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(4-octylphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(4-octylphenyl)-1H-imidazole-5-carboxamide is CCCCCCCCc1ccc(NC(=O)c2cnc[nH]2)cc1.
What is the InChIKey of N-(4-octylphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is IZTYDICDQLIXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)21-18(22)17-13-19-14-20-17/h9-14H,2-8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(4-octylphenyl)-1H-imidazole-5-carboxamide?
N-(4-octylphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-octylphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 177471524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).