5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole

C13H15ClN2O — CID 46310061

IUPAC5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
SMILESCc1nc2cc(Cl)ccc2n1CC1CCCO1
InChIInChI=1S/C13H15ClN2O/c1-9-15-12-7-10(14)4-5-13(12)16(9)8-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8H2,1H3
InChIKeyMYXBSOISIQELKK-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.18
Rot. Bonds2

About 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole

5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole (PubChem CID 46310061) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
PubChem CID46310061
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
SMILESCc1nc2cc(Cl)ccc2n1CC1CCCO1
InChIInChI=1S/C13H15ClN2O/c1-9-15-12-7-10(14)4-5-13(12)16(9)8-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8H2,1H3
InChIKeyMYXBSOISIQELKK-UHFFFAOYSA-N
XLogP3.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310104
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722
6-chloro-1-(cyclopropylmethyl)-2-methylbenzimidazole
CID 134083712
5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
CID 47045903
7-chloro-3-[[(2S)-oxolan-2-yl]methyl]-2-propan-2-ylsulfanylquinazolin-4-one
CID 41095575
5-chloro-1-(2-ethoxyethyl)-2-(oxolan-2-yl)benzimidazole
CID 46309298
3-[5-chloro-2-(oxolan-2-yl)benzimidazol-1-yl]propan-1-ol
CID 46308488
17-(5-chloro-2-methylphenyl)-14-methyl-13-[[(2S)-oxolan-2-yl]methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 41079946
7-chloro-3-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]quinazolin-4-one
CID 8601242
7-chloro-2-[(4-methylphenyl)methylsulfanyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7739354
9-chloro-5-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3]oxazino[5,6-c]quinoline
CID 23826903
methyl 2-(chloromethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate
CID 175589218

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole?
The IUPAC name of 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole (CID 46310061) is 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole?
The canonical SMILES for 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole is Cc1nc2cc(Cl)ccc2n1CC1CCCO1.
What is the InChIKey of 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole?
The InChIKey is MYXBSOISIQELKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-15-12-7-10(14)4-5-13(12)16(9)8-11-3-2-6-17-11/h4-5,7,11H,2-3,6,8H2,1H3.
What are the key properties of 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole?
5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole has a molecular weight of 250.73 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 46310061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).