1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide

C16H22N4O — CID 107495955

IUPAC1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cn(CCN)cn2)cc1
InChIInChI=1S/C16H22N4O/c1-2-3-4-13-5-7-14(8-6-13)19-16(21)15-11-20(10-9-17)12-18-15/h5-8,11-12H,2-4,9-10,17H2,1H3,(H,19,21)
InChIKeyNDQPCDTWOYVUEW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.44
Rot. Bonds7

About 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide (PubChem CID 107495955) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
PubChem CID107495955
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2cn(CCN)cn2)cc1
InChIInChI=1S/C16H22N4O/c1-2-3-4-13-5-7-14(8-6-13)19-16(21)15-11-20(10-9-17)12-18-15/h5-8,11-12H,2-4,9-10,17H2,1H3,(H,19,21)
InChIKeyNDQPCDTWOYVUEW-UHFFFAOYSA-N
XLogP2.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
CID 107498222
1-(2-aminoethyl)-N-(4-iodophenyl)imidazole-4-carboxamide
CID 107495861
1-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]imidazole-4-carboxamide
CID 107496124
1-(2-aminoethyl)-N-(6-oxo-1-propyl-3-pyridinyl)imidazole-4-carboxamide
CID 107496780
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
CID 107496371
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
1-(2-aminoethyl)-N-[4-(difluoromethylsulfanyl)phenyl]imidazole-4-carboxamide
CID 107496216
1-(2-aminoethyl)-N-thiophen-3-ylimidazole-4-carboxamide
CID 107499123
5-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 107497446
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide (CID 107495955) is 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide is CCCCc1ccc(NC(=O)c2cn(CCN)cn2)cc1.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide?
The InChIKey is NDQPCDTWOYVUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-3-4-13-5-7-14(8-6-13)19-16(21)15-11-20(10-9-17)12-18-15/h5-8,11-12H,2-4,9-10,17H2,1H3,(H,19,21).
What are the key properties of 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 107495955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).