5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole

C14H18N2O — CID 115582514

IUPAC5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole
SMILESCc1cc2ncn(CC3CCOC3)c2cc1C
InChIInChI=1S/C14H18N2O/c1-10-5-13-14(6-11(10)2)16(9-15-13)7-12-3-4-17-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyMMNWZHSQPPXMKP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.69
Rot. Bonds2

About 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole

5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole (PubChem CID 115582514) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole
PubChem CID115582514
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole
SMILESCc1cc2ncn(CC3CCOC3)c2cc1C
InChIInChI=1S/C14H18N2O/c1-10-5-13-14(6-11(10)2)16(9-15-13)7-12-3-4-17-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyMMNWZHSQPPXMKP-UHFFFAOYSA-N
XLogP2.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
CID 115761322
[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine
CID 62447770
1-[[4-(bromomethyl)oxan-4-yl]methyl]-5,6-dimethylbenzimidazole
CID 65006822
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine
CID 61387648
4-bromo-5-methyl-2-(oxolan-3-ylmethyl)triazole
CID 123139283
5-bromo-6-chloro-3-(oxolan-3-ylmethyl)pyrimidin-4-one
CID 114583574
1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine
CID 62563334
2,6-dichloro-9-[[(3R)-oxolan-3-yl]methyl]purine
CID 124560527
3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 151354727
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(oxolan-3-ylmethyl)benzimidazole
CID 103593678
2-(5-methylthiophen-2-yl)-1-(oxolan-3-ylmethyl)imidazole
CID 155912420
(2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one
CID 97159914

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole?
The IUPAC name of 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole (CID 115582514) is 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole?
The canonical SMILES for 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole is Cc1cc2ncn(CC3CCOC3)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole?
The InChIKey is MMNWZHSQPPXMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-5-13-14(6-11(10)2)16(9-15-13)7-12-3-4-17-8-12/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole?
5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole has a molecular weight of 230.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole is sourced from PubChem (CID 115582514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).