5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one

C19H16BrClN4O — CID 142041678

IUPAC5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one
SMILESCc1cc(Cl)cc(N2C(=O)C(C)(Cc3ccc(Br)cc3)n3cnnc32)c1
InChIInChI=1S/C19H16BrClN4O/c1-12-7-15(21)9-16(8-12)25-17(26)19(2,24-11-22-23-18(24)25)10-13-3-5-14(20)6-4-13/h3-9,11H,10H2,1-2H3
InChIKeyHHGJZNHWWOVXOQ-UHFFFAOYSA-N
MW431.72 g/mol
LogP4.64
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one

5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one (PubChem CID 142041678) has the molecular formula C19H16BrClN4O and a molecular weight of 431.72 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one
PubChem CID142041678
Molecular FormulaC19H16BrClN4O
Molecular Weight431.72 g/mol
Exact Mass430.02
IUPAC Name5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one
SMILESCc1cc(Cl)cc(N2C(=O)C(C)(Cc3ccc(Br)cc3)n3cnnc32)c1
InChIInChI=1S/C19H16BrClN4O/c1-12-7-15(21)9-16(8-12)25-17(26)19(2,24-11-22-23-18(24)25)10-13-3-5-14(20)6-4-13/h3-9,11H,10H2,1-2H3
InChIKeyHHGJZNHWWOVXOQ-UHFFFAOYSA-N
XLogP4.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.72
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one
CID 59881484
(5S)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-1-propylimidazolidine-2,4-dione
CID 59075288
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
CID 18338045
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
CID 59923816
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonitrile
CID 11317514
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-prop-2-enylimidazo[1,2-a]imidazol-6-one
CID 18337863
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-sulfonic acid
CID 59923705
1-(4-bromobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 18682394
(5R)-1-(4-aminobutyl)-5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 59879535
4-[5-[(4-bromophenyl)methyl]-3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxoimidazolidin-1-yl]butanoic acid
CID 18682541
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperidin-1-ylsulfonylimidazo[1,2-a]imidazol-6-one
CID 11433367
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one
CID 142041783

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one?
The IUPAC name of 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one (CID 142041678) is 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one is Cc1cc(Cl)cc(N2C(=O)C(C)(Cc3ccc(Br)cc3)n3cnnc32)c1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one?
The InChIKey is HHGJZNHWWOVXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN4O/c1-12-7-15(21)9-16(8-12)25-17(26)19(2,24-11-22-23-18(24)25)10-13-3-5-14(20)6-4-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one?
5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one has a molecular weight of 431.72 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-5-methylimidazo[2,1-c][1,2,4]triazol-6-one is sourced from PubChem (CID 142041678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).