N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide

C15H20N4O — CID 103510202

IUPACN-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(C(=O)c1cncn1C)c1ccc(CN)cc1
InChIInChI=1S/C15H20N4O/c1-11(2)19(13-6-4-12(8-16)5-7-13)15(20)14-9-17-10-18(14)3/h4-7,9-11H,8,16H2,1-3H3
InChIKeyUIAISGFLDQHGNS-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide

N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide (PubChem CID 103510202) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
PubChem CID103510202
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(C(=O)c1cncn1C)c1ccc(CN)cc1
InChIInChI=1S/C15H20N4O/c1-11(2)19(13-6-4-12(8-16)5-7-13)15(20)14-9-17-10-18(14)3/h4-7,9-11H,8,16H2,1-3H3
InChIKeyUIAISGFLDQHGNS-UHFFFAOYSA-N
XLogP1.93
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 43276007
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
N-[4-(aminomethyl)phenyl]-5-methyl-N-propan-2-ylfuran-3-carboxamide
CID 114818480
N-[4-(aminomethyl)phenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 43275967
1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
CID 43276091
N-(4-hydroxyphenyl)-N,3-dimethylimidazole-4-carboxamide
CID 103511122
N-ethyl-3-methyl-N-phenylimidazole-4-carboxamide
CID 42789423
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
N-[4-(aminomethyl)phenyl]-N-propan-2-ylmorpholine-4-carboxamide
CID 79155841
N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103510269
2-methyl-3-[methyl-(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510498
N-[4-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylacetamide
CID 115949136

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide (CID 103510202) is N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide is CC(C)N(C(=O)c1cncn1C)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide?
The InChIKey is UIAISGFLDQHGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)19(13-6-4-12(8-16)5-7-13)15(20)14-9-17-10-18(14)3/h4-7,9-11H,8,16H2,1-3H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide?
N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-methyl-N-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 103510202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).