2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole

C14H10Cl2N2 — CID 19063344

IUPAC2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
SMILESClc1ccc(Cc2nc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H10Cl2N2/c15-10-6-5-9(7-11(10)16)8-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8H2,(H,17,18)
InChIKeyXPFCXIKQEQOMMW-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.46
Rot. Bonds2

About 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole

2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole (PubChem CID 19063344) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
PubChem CID19063344
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
SMILESClc1ccc(Cc2nc3ccccc3[nH]2)cc1Cl
InChIInChI=1S/C14H10Cl2N2/c15-10-6-5-9(7-11(10)16)8-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8H2,(H,17,18)
InChIKeyXPFCXIKQEQOMMW-UHFFFAOYSA-N
XLogP4.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole (CID 19063344) is 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole is Clc1ccc(Cc2nc3ccccc3[nH]2)cc1Cl.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole?
The InChIKey is XPFCXIKQEQOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-10-6-5-9(7-11(10)16)8-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8H2,(H,17,18).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole?
2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole has a molecular weight of 277.15 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 19063344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).