3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide

C16H19BrN4O — CID 119821133

IUPAC3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2nccn2Cc2ccc(Br)cc2)C1
InChIInChI=1S/C16H19BrN4O/c17-13-4-1-11(2-5-13)10-21-8-7-19-16(21)20-15(22)12-3-6-14(18)9-12/h1-2,4-5,7-8,12,14H,3,6,9-10,18H2,(H,19,20,22)
InChIKeyNPTVJMUZIMVGCL-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.76
Rot. Bonds4

About 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide

3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide (PubChem CID 119821133) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide
PubChem CID119821133
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2nccn2Cc2ccc(Br)cc2)C1
InChIInChI=1S/C16H19BrN4O/c17-13-4-1-11(2-5-13)10-21-8-7-19-16(21)20-15(22)12-3-6-14(18)9-12/h1-2,4-5,7-8,12,14H,3,6,9-10,18H2,(H,19,20,22)
InChIKeyNPTVJMUZIMVGCL-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S)-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124703477
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921
N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]-2-methyl-3-(methylamino)propanamide
CID 119821143
N-(1-benzylimidazol-2-yl)piperidine-3-carboxamide
CID 119297675
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
(4R)-N-(1-benzylimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 97313572
3-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119843462
3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119698879
(2R)-N-(1-benzylimidazol-2-yl)oxolane-2-carboxamide
CID 94211931
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide (CID 119821133) is 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2nccn2Cc2ccc(Br)cc2)C1.
What is the InChIKey of 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide?
The InChIKey is NPTVJMUZIMVGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c17-13-4-1-11(2-5-13)10-21-8-7-19-16(21)20-15(22)12-3-6-14(18)9-12/h1-2,4-5,7-8,12,14H,3,6,9-10,18H2,(H,19,20,22).
What are the key properties of 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide?
3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(4-bromophenyl)methyl]imidazol-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119821133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).