1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole

C14H12BrN3 — CID 104778657

IUPAC1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(-c3ccncc3Br)c2cc1C
InChIInChI=1S/C14H12BrN3/c1-9-5-12-14(6-10(9)2)18(8-17-12)13-3-4-16-7-11(13)15/h3-8H,1-2H3
InChIKeyIDKPXVAAGSTLTQ-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.80
Rot. Bonds1

About 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole

1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole (PubChem CID 104778657) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole
PubChem CID104778657
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(-c3ccncc3Br)c2cc1C
InChIInChI=1S/C14H12BrN3/c1-9-5-12-14(6-10(9)2)18(8-17-12)13-3-4-16-7-11(13)15/h3-8H,1-2H3
InChIKeyIDKPXVAAGSTLTQ-UHFFFAOYSA-N
XLogP3.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(4,5-dimethylimidazol-1-yl)pyridine
CID 104778676
4-bromo-2-(5,6-dimethylbenzimidazol-1-yl)-5-fluoroaniline
CID 116736349
5-bromo-2-(5,6-dimethylbenzimidazol-1-yl)benzonitrile
CID 114890912
4-bromo-2-(5,6-dimethylbenzimidazol-1-yl)benzoic acid
CID 43364788
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
4-chloro-2-(5,6-dimethylbenzimidazol-1-yl)benzaldehyde
CID 114844606
1-(4-bromo-2-nitrophenyl)-5,6-dimethylbenzimidazole
CID 60646142
3-bromo-4-(3-methyl-1,2,4-triazol-4-yl)pyridine
CID 90199424
3-bromo-4-(3-methyl-1,2,4-triazol-1-yl)pyridine
CID 166607440
1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole
CID 107085713
1-(5-fluoropyrimidin-2-yl)-5,6-dimethylbenzimidazole
CID 134862242
[2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine
CID 62306759

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole (CID 104778657) is 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole is Cc1cc2ncn(-c3ccncc3Br)c2cc1C.
What is the InChIKey of 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole?
The InChIKey is IDKPXVAAGSTLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-9-5-12-14(6-10(9)2)18(8-17-12)13-3-4-16-7-11(13)15/h3-8H,1-2H3.
What are the key properties of 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole?
1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole has a molecular weight of 302.18 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole is sourced from PubChem (CID 104778657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).