[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine

C15H21N3O — CID 62447770

IUPAC[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCc1cc2ncn(CC3CCC(CN)O3)c2cc1C
InChIInChI=1S/C15H21N3O/c1-10-5-14-15(6-11(10)2)18(9-17-14)8-13-4-3-12(7-16)19-13/h5-6,9,12-13H,3-4,7-8,16H2,1-2H3
InChIKeyGEEFYBSPVAVEHU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.16
Rot. Bonds3

About [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine

[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 62447770) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID62447770
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCc1cc2ncn(CC3CCC(CN)O3)c2cc1C
InChIInChI=1S/C15H21N3O/c1-10-5-14-15(6-11(10)2)18(9-17-14)8-13-4-3-12(7-16)19-13/h5-6,9,12-13H,3-4,7-8,16H2,1-2H3
InChIKeyGEEFYBSPVAVEHU-UHFFFAOYSA-N
XLogP2.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutylmethyl)-5,6-dimethylbenzimidazole
CID 115761322
5,6-dimethyl-1-(oxolan-3-ylmethyl)benzimidazole
CID 115582514
4-(5,6-dimethylbenzimidazol-1-yl)but-2-en-1-amine
CID 77110646
N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopropanamine
CID 61387648
1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine
CID 62563334
1-[[4-(bromomethyl)oxan-4-yl]methyl]-5,6-dimethylbenzimidazole
CID 65006822
2-(5,6-dimethylbenzimidazol-1-yl)-N'-hydroxyethanimidamide
CID 17010606
(2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one
CID 97159914
1-[[1-(bromomethyl)cycloheptyl]methyl]-5,6-dimethylbenzimidazole
CID 65010583
1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464
5,6-dimethyl-1-nonylbenzimidazole
CID 16994999
[5-[(3,4-dimethylphenoxy)methyl]oxolan-2-yl]methanamine
CID 62452869

Frequently Asked Questions

What is the IUPAC name of [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine (CID 62447770) is [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine is Cc1cc2ncn(CC3CCC(CN)O3)c2cc1C.
What is the InChIKey of [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is GEEFYBSPVAVEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-5-14-15(6-11(10)2)18(9-17-14)8-13-4-3-12(7-16)19-13/h5-6,9,12-13H,3-4,7-8,16H2,1-2H3.
What are the key properties of [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine?
[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5,6-dimethylbenzimidazol-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 62447770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).