1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide

C15H20N4O2 — CID 107496849

IUPAC1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cn(CCN)cn2)cc1
InChIInChI=1S/C15H20N4O2/c1-18(9-12-3-5-13(21-2)6-4-12)15(20)14-10-19(8-7-16)11-17-14/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyLDVFUESGRBEZKT-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.12
Rot. Bonds6

About 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide

1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide (PubChem CID 107496849) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide
PubChem CID107496849
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cn(CCN)cn2)cc1
InChIInChI=1S/C15H20N4O2/c1-18(9-12-3-5-13(21-2)6-4-12)15(20)14-10-19(8-7-16)11-17-14/h3-6,10-11H,7-9,16H2,1-2H3
InChIKeyLDVFUESGRBEZKT-UHFFFAOYSA-N
XLogP1.12
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide
CID 107498076
1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
CID 107499326
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide
CID 107496920
1-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)imidazole-4-carboxamide
CID 107495803
1-(2-aminoethyl)-N-methyl-N-(oxan-4-ylmethyl)imidazole-4-carboxamide
CID 107498649
N-(3-aminopropyl)-N-(4-methoxyphenyl)-1-methylimidazole-4-carboxamide
CID 107970800
5-cyano-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 63718577
1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide
CID 107498391
1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 114272870
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide (CID 107496849) is 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide is COc1ccc(CN(C)C(=O)c2cn(CCN)cn2)cc1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide?
The InChIKey is LDVFUESGRBEZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18(9-12-3-5-13(21-2)6-4-12)15(20)14-10-19(8-7-16)11-17-14/h3-6,10-11H,7-9,16H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide?
1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 107496849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).