1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide

C16H22N4O — CID 107496790

IUPAC1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C16H22N4O/c1-12-5-3-4-6-14(12)9-13(2)19-16(21)15-10-20(8-7-17)11-18-15/h3-6,10-11,13H,7-9,17H2,1-2H3,(H,19,21)
InChIKeyBWGANVTVBTXPRE-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.51
Rot. Bonds6

About 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide (PubChem CID 107496790) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
PubChem CID107496790
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C16H22N4O/c1-12-5-3-4-6-14(12)9-13(2)19-16(21)15-10-20(8-7-17)11-18-15/h3-6,10-11,13H,7-9,17H2,1-2H3,(H,19,21)
InChIKeyBWGANVTVBTXPRE-UHFFFAOYSA-N
XLogP1.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]pentanoic acid
CID 107498788
1-(2-aminoethyl)-N-(2-methyl-1-phenylpropyl)imidazole-4-carboxamide
CID 107496348
1-(2-aminoethyl)-N-(4-methylsulfanylbutan-2-yl)imidazole-4-carboxamide
CID 107499731
1-(2-aminoethyl)-N-(1-cyanopropan-2-yl)imidazole-4-carboxamide
CID 107498166
6-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-methylheptanoic acid
CID 107498996
1-(2-aminoethyl)-N-[1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 107497612
1-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)imidazole-4-carboxamide
CID 107499699
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
CID 107498921
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
CID 107496371
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
CID 65355631
1-(2-aminoethyl)-N-(2-hydroxy-3-methylphenyl)imidazole-4-carboxamide
CID 107499209
1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107495694

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide (CID 107496790) is 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide is Cc1ccccc1CC(C)NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide?
The InChIKey is BWGANVTVBTXPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-3-4-6-14(12)9-13(2)19-16(21)15-10-20(8-7-17)11-18-15/h3-6,10-11,13H,7-9,17H2,1-2H3,(H,19,21).
What are the key properties of 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 107496790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).