[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine

C15H21N3O — CID 104721634

IUPAC[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine
SMILESCn1c(CCC2CCCO2)nc2c(CN)cccc21
InChIInChI=1S/C15H21N3O/c1-18-13-6-2-4-11(10-16)15(13)17-14(18)8-7-12-5-3-9-19-12/h2,4,6,12H,3,5,7-10,16H2,1H3
InChIKeyQRCQULPXFDWUPO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.14
Rot. Bonds4

About [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine

[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine (PubChem CID 104721634) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine
PubChem CID104721634
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine
SMILESCn1c(CCC2CCCO2)nc2c(CN)cccc21
InChIInChI=1S/C15H21N3O/c1-18-13-6-2-4-11(10-16)15(13)17-14(18)8-7-12-5-3-9-19-12/h2,4,6,12H,3,5,7-10,16H2,1H3
InChIKeyQRCQULPXFDWUPO-UHFFFAOYSA-N
XLogP2.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-2-(2-phenylethyl)benzimidazol-4-yl]methanamine
CID 104721579
3-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712445
[4-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104721498
[2-(3-ethoxypropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 104721481
3-methyl-2-[2-(oxan-2-yl)ethyl]benzimidazole-5-carbonitrile
CID 104712752
2-(2-chloroethyl)-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carbonitrile
CID 104719543
1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
[2-(2-methoxy-2-methylpropyl)-1-methylbenzimidazol-4-yl]methanamine
CID 103022652
2-[1-[2-(oxolan-2-yl)ethyl]indol-7-yl]ethanamine
CID 102917115
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
[1-methyl-2-(thiolan-2-yl)benzimidazol-4-yl]methanamine
CID 104721614
[3-methyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]methanamine
CID 65165798

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine?
The IUPAC name of [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine (CID 104721634) is [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine is Cn1c(CCC2CCCO2)nc2c(CN)cccc21.
What is the InChIKey of [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine?
The InChIKey is QRCQULPXFDWUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18-13-6-2-4-11(10-16)15(13)17-14(18)8-7-12-5-3-9-19-12/h2,4,6,12H,3,5,7-10,16H2,1H3.
What are the key properties of [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine?
[1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-[2-(oxolan-2-yl)ethyl]benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).