1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide

C22H21BrN6O2 — CID 55870546

IUPAC1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1cccc(C(NC(=O)c2nnn(-c3cccc(Br)c3)c2C)c2nccn2C)c1
InChIInChI=1S/C22H21BrN6O2/c1-14-19(26-27-29(14)17-8-5-7-16(23)13-17)22(30)25-20(21-24-10-11-28(21)2)15-6-4-9-18(12-15)31-3/h4-13,20H,1-3H3,(H,25,30)
InChIKeyIYRPQHIGBGCDPC-UHFFFAOYSA-N
MW481.35 g/mol
LogP3.60
Rot. Bonds6

About 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide

1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide (PubChem CID 55870546) has the molecular formula C22H21BrN6O2 and a molecular weight of 481.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide
PubChem CID55870546
Molecular FormulaC22H21BrN6O2
Molecular Weight481.35 g/mol
Exact Mass480.09
IUPAC Name1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1cccc(C(NC(=O)c2nnn(-c3cccc(Br)c3)c2C)c2nccn2C)c1
InChIInChI=1S/C22H21BrN6O2/c1-14-19(26-27-29(14)17-8-5-7-16(23)13-17)22(30)25-20(21-24-10-11-28(21)2)15-6-4-9-18(12-15)31-3/h4-13,20H,1-3H3,(H,25,30)
InChIKeyIYRPQHIGBGCDPC-UHFFFAOYSA-N
XLogP3.60
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-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

1-(3-bromophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide
CID 55870676
3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 55453555
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-piperidin-1-ylbenzamide
CID 46971613
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55607536
7-bromo-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 55685720
2,4-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269170
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
4-(4-bromophenyl)-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 31505126
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55798793

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide (CID 55870546) is 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide is COc1cccc(C(NC(=O)c2nnn(-c3cccc(Br)c3)c2C)c2nccn2C)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is IYRPQHIGBGCDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN6O2/c1-14-19(26-27-29(14)17-8-5-7-16(23)13-17)22(30)25-20(21-24-10-11-28(21)2)15-6-4-9-18(12-15)31-3/h4-13,20H,1-3H3,(H,25,30).
What are the key properties of 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide?
1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 481.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 55870546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).