2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole

C15H20N2O — CID 79762204

IUPAC2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
SMILESCc1nc2ccccc2n1CCCC1CCCO1
InChIInChI=1S/C15H20N2O/c1-12-16-14-8-2-3-9-15(14)17(12)10-4-6-13-7-5-11-18-13/h2-3,8-9,13H,4-7,10-11H2,1H3
InChIKeyRMKBAVGPFUWCMC-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.30
Rot. Bonds4

About 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole

2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole (PubChem CID 79762204) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
PubChem CID79762204
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
SMILESCc1nc2ccccc2n1CCCC1CCCO1
InChIInChI=1S/C15H20N2O/c1-12-16-14-8-2-3-9-15(14)17(12)10-4-6-13-7-5-11-18-13/h2-3,8-9,13H,4-7,10-11H2,1H3
InChIKeyRMKBAVGPFUWCMC-UHFFFAOYSA-N
XLogP3.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[3-(oxolan-2-yl)propyl]indole
CID 65165792
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138008
1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111137509
1-ethyl-2-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111785629
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
N,N-dimethyl-2-[[[3-(2-methylbenzimidazol-1-yl)propylamino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111651653
N-[2-(2-methylbenzimidazol-1-yl)ethyl]oxepan-4-amine
CID 65076508
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115543363
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 154760702

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole?
The IUPAC name of 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole (CID 79762204) is 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole is Cc1nc2ccccc2n1CCCC1CCCO1.
What is the InChIKey of 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole?
The InChIKey is RMKBAVGPFUWCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-16-14-8-2-3-9-15(14)17(12)10-4-6-13-7-5-11-18-13/h2-3,8-9,13H,4-7,10-11H2,1H3.
What are the key properties of 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole?
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole has a molecular weight of 244.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole is sourced from PubChem (CID 79762204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).