5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole

C17H17ClN2O — CID 46310630

IUPAC5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(COc2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c1-12(2)20-16-9-8-13(18)10-15(16)19-17(20)11-21-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyMNQDMUDHRLLHOX-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.85
Rot. Bonds4

About 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole

5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole (PubChem CID 46310630) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
PubChem CID46310630
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(COc2ccccc2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c1-12(2)20-16-9-8-13(18)10-15(16)19-17(20)11-21-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyMNQDMUDHRLLHOX-UHFFFAOYSA-N
XLogP4.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
6-chloro-2-[(3-methylphenoxy)methyl]-1-propan-2-ylbenzimidazole
CID 46310633
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310662
2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 83868113
5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310917
4-[(5-chloro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60785204
2-[5,6-dimethyl-2-(phenoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82145263
6-chloro-1-(2-methoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 46309145
2-(chloromethyl)-1-propan-2-yl-5-propan-2-yloxybenzimidazole
CID 82335377
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
N-[2-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 60837684
5-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667590

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole (CID 46310630) is 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole is CC(C)n1c(COc2ccccc2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole?
The InChIKey is MNQDMUDHRLLHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12(2)20-16-9-8-13(18)10-15(16)19-17(20)11-21-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole?
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole has a molecular weight of 300.79 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 46310630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).