1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole

C16H15ClN2O — CID 962448

IUPAC1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c1-20-11-16-18-14-8-4-5-9-15(14)19(16)10-12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3
InChIKeyVCPQEZCJGMTSAY-UHFFFAOYSA-N
MW286.76 g/mol
LogP3.88
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole

1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole (PubChem CID 962448) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
PubChem CID962448
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole
SMILESCOCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O/c1-20-11-16-18-14-8-4-5-9-15(14)19(16)10-12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3
InChIKeyVCPQEZCJGMTSAY-UHFFFAOYSA-N
XLogP3.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
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1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
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1-[(2-chlorophenyl)methyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
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1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
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[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
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CID 90664622
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
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1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242893
1-(1H-benzimidazol-2-ylmethyl)-2-(methoxymethyl)benzimidazole
CID 50878272
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole (CID 962448) is 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole is COCc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole?
The InChIKey is VCPQEZCJGMTSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-20-11-16-18-14-8-4-5-9-15(14)19(16)10-12-6-2-3-7-13(12)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole?
1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole has a molecular weight of 286.76 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)benzimidazole is sourced from PubChem (CID 962448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).