N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

C15H21N3O — CID 93418668

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCCn1c(CNC[C@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-2-18-14-8-4-3-7-13(14)17-15(18)11-16-10-12-6-5-9-19-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyQGDFXNGKXUGBNU-GFCCVEGCSA-N
MW259.35 g/mol
LogP2.32
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 93418668) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID93418668
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCCn1c(CNC[C@H]2CCCO2)nc2ccccc21
InChIInChI=1S/C15H21N3O/c1-2-18-14-8-4-3-7-13(14)17-15(18)11-16-10-12-6-5-9-19-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3/t12-/m1/s1
InChIKeyQGDFXNGKXUGBNU-GFCCVEGCSA-N
XLogP2.32
TPSA39.08 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
2-(oxolan-2-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 61034574
1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-2-yl)propan-2-one
CID 79753354
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411845
1-(1,1-dioxothiolan-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 81043351
1-(2-bicyclo[2.2.1]heptanyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 62734834
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97060170
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765848
1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 124684087
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
N-[(1-methylbenzimidazol-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95159798

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 93418668) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is CCn1c(CNC[C@H]2CCCO2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is QGDFXNGKXUGBNU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-18-14-8-4-3-7-13(14)17-15(18)11-16-10-12-6-5-9-19-12/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3/t12-/m1/s1.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 93418668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).