2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole

C15H12Cl2N2O2 — CID 63399348

IUPAC2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3cc(Cl)ccc3Cl)[nH]c2cc1OC
InChIInChI=1S/C15H12Cl2N2O2/c1-20-13-6-11-12(7-14(13)21-2)19-15(18-11)9-5-8(16)3-4-10(9)17/h3-7H,1-2H3,(H,18,19)
InChIKeyBWGJAMYYMBYEDD-UHFFFAOYSA-N
MW323.18 g/mol
LogP4.55
Rot. Bonds3

About 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole

2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole (PubChem CID 63399348) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
PubChem CID63399348
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3cc(Cl)ccc3Cl)[nH]c2cc1OC
InChIInChI=1S/C15H12Cl2N2O2/c1-20-13-6-11-12(7-14(13)21-2)19-15(18-11)9-5-8(16)3-4-10(9)17/h3-7H,1-2H3,(H,18,19)
InChIKeyBWGJAMYYMBYEDD-UHFFFAOYSA-N
XLogP4.55
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
2-(2-chlorofuran-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 106688276
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
2-(2,5-dichlorophenyl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65482699
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-6,8-dimethoxyquinazolin-4-amine
CID 71495622
2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004183
[2-(2,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004389
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-5-fluoroaniline
CID 61364901

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole (CID 63399348) is 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole is COc1cc2nc(-c3cc(Cl)ccc3Cl)[nH]c2cc1OC.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole?
The InChIKey is BWGJAMYYMBYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-20-13-6-11-12(7-14(13)21-2)19-15(18-11)9-5-8(16)3-4-10(9)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole?
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole has a molecular weight of 323.18 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 63399348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).