3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine

C15H21N3O — CID 50877230

IUPAC3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
SMILESNCCCc1nc2ccccc2n1CC1CCCO1
InChIInChI=1S/C15H21N3O/c16-9-3-8-15-17-13-6-1-2-7-14(13)18(15)11-12-5-4-10-19-12/h1-2,6-7,12H,3-5,8-11,16H2
InChIKeyPCJCRIMNPZBFLV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.11
Rot. Bonds5

About 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine

3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine (PubChem CID 50877230) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
PubChem CID50877230
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
SMILESNCCCc1nc2ccccc2n1CC1CCCO1
InChIInChI=1S/C15H21N3O/c16-9-3-8-15-17-13-6-1-2-7-14(13)18(15)11-12-5-4-10-19-12/h1-2,6-7,12H,3-5,8-11,16H2
InChIKeyPCJCRIMNPZBFLV-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]ethanethioamide
CID 55244932
2-[(4-methylphenoxy)methyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole
CID 100659308
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
2-[1-[(4-ethylmorpholin-2-yl)methyl]benzimidazol-2-yl]ethanamine
CID 79171647
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 154760702
3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159634
3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
CID 97196072
2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117159635
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine (CID 50877230) is 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine is NCCCc1nc2ccccc2n1CC1CCCO1.
What is the InChIKey of 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine?
The InChIKey is PCJCRIMNPZBFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-9-3-8-15-17-13-6-1-2-7-14(13)18(15)11-12-5-4-10-19-12/h1-2,6-7,12H,3-5,8-11,16H2.
What are the key properties of 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine?
3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine is sourced from PubChem (CID 50877230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).