N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide

C15H19BrN4O — CID 119821143

IUPACN-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1nccn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O/c1-11(9-17-2)14(21)19-15-18-7-8-20(15)10-12-3-5-13(16)6-4-12/h3-8,11,17H,9-10H2,1-2H3,(H,18,19,21)
InChIKeyOPRZUUHBUCOPRN-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.49
Rot. Bonds6

About N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide

N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119821143) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide
PubChem CID119821143
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC NameN-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1nccn1Cc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN4O/c1-11(9-17-2)14(21)19-15-18-7-8-20(15)10-12-3-5-13(16)6-4-12/h3-8,11,17H,9-10H2,1-2H3,(H,18,19,21)
InChIKeyOPRZUUHBUCOPRN-UHFFFAOYSA-N
XLogP2.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-benzylimidazol-2-yl)-3-methylpentanamide
CID 119738614
3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide
CID 119821133
(2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703477
(2R)-N,2-dimethyl-3-[methyl-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]carbamoyl]amino]propanamide
CID 96569745
2-(2,3-dihydroindol-1-yl)-N-[1-(pyridin-4-ylmethyl)imidazol-2-yl]propanamide
CID 167794390
N-(4-bromo-2-chlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196244
N-(1-benzylimidazol-2-yl)-2-phenylpyrimidine-5-carboxamide
CID 51126740
N-(4-bromophenyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22583676
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119732827
N-(4-bromo-2,3-dichlorophenyl)-2-methyl-3-(methylamino)propanamide
CID 114001833

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide (CID 119821143) is N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1nccn1Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is OPRZUUHBUCOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-11(9-17-2)14(21)19-15-18-7-8-20(15)10-12-3-5-13(16)6-4-12/h3-8,11,17H,9-10H2,1-2H3,(H,18,19,21).
What are the key properties of N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide?
N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 351.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119821143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).