1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole

C21H17BrN4O2 — CID 91453105

IUPAC1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole
SMILESCOc1cccc(C=Cc2nc3ccccc3n2-c2ncc(Br)cn2)c1OC
InChIInChI=1S/C21H17BrN4O2/c1-27-18-9-5-6-14(20(18)28-2)10-11-19-25-16-7-3-4-8-17(16)26(19)21-23-12-15(22)13-24-21/h3-13H,1-2H3
InChIKeyNATAFCYJQFZPQS-UHFFFAOYSA-N
MW437.30 g/mol
LogP4.77
Rot. Bonds5

About 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole

1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole (PubChem CID 91453105) has the molecular formula C21H17BrN4O2 and a molecular weight of 437.30 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole
PubChem CID91453105
Molecular FormulaC21H17BrN4O2
Molecular Weight437.30 g/mol
Exact Mass436.05
IUPAC Name1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole
SMILESCOc1cccc(C=Cc2nc3ccccc3n2-c2ncc(Br)cn2)c1OC
InChIInChI=1S/C21H17BrN4O2/c1-27-18-9-5-6-14(20(18)28-2)10-11-19-25-16-7-3-4-8-17(16)26(19)21-23-12-15(22)13-24-21/h3-13H,1-2H3
InChIKeyNATAFCYJQFZPQS-UHFFFAOYSA-N
XLogP4.77
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.30
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole 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-(5-chloro-2-pyridinyl)-2-[(E)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]benzimidazole
CID 58477815
6-[2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]benzimidazol-1-yl]pyridine-3-carbonitrile
CID 46701078
1-(3,5-dichloro-2-pyridinyl)-2-[(E)-2-(3-methoxy-2-phenylmethoxyphenyl)ethenyl]benzimidazole
CID 46701004
6-[2-[(Z)-2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]benzimidazol-1-yl]pyridine-3-carbonitrile
CID 46701080
3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 20966993
2-[2-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]benzimidazol-1-yl]-4-fluorobenzonitrile
CID 142789293
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987
6-[2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]benzimidazol-1-yl]pyridine-3-carboxylic acid
CID 141329500
4-[2-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]benzimidazol-1-yl]-3-fluorobenzonitrile
CID 46701484
2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-1-pyridazin-3-ylbenzimidazole
CID 141329504
2-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-1-(4-fluoro-3-isocyanophenyl)benzimidazole
CID 76798464
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-fluoro-4-methylphenyl)quinazolin-4-one
CID 20966989

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole (CID 91453105) is 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole is COc1cccc(C=Cc2nc3ccccc3n2-c2ncc(Br)cn2)c1OC.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole?
The InChIKey is NATAFCYJQFZPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O2/c1-27-18-9-5-6-14(20(18)28-2)10-11-19-25-16-7-3-4-8-17(16)26(19)21-23-12-15(22)13-24-21/h3-13H,1-2H3.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole?
1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole has a molecular weight of 437.30 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-2-[2-(2,3-dimethoxyphenyl)ethenyl]benzimidazole is sourced from PubChem (CID 91453105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).