1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

C17H25N3O — CID 103987126

IUPAC1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCCn1c(CC(CC2CCOC2)NC)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-20-16-7-5-4-6-15(16)19-17(20)11-14(18-2)10-13-8-9-21-12-13/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyUWIMBKDPWFVKOF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.61
Rot. Bonds6

About 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (PubChem CID 103987126) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
PubChem CID103987126
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCCn1c(CC(CC2CCOC2)NC)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-20-16-7-5-4-6-15(16)19-17(20)11-14(18-2)10-13-8-9-21-12-13/h4-7,13-14,18H,3,8-12H2,1-2H3
InChIKeyUWIMBKDPWFVKOF-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylbenzimidazol-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103986866
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757032
1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79751086
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
CID 79750551
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105164929
1-butan-2-ylsulfanyl-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79757017
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-(oxolan-3-yl)propan-2-amine
CID 103987063
N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine
CID 113362140
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 79750862
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 79756296

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (CID 103987126) is 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is CCn1c(CC(CC2CCOC2)NC)nc2ccccc21.
What is the InChIKey of 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is UWIMBKDPWFVKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-20-16-7-5-4-6-15(16)19-17(20)11-14(18-2)10-13-8-9-21-12-13/h4-7,13-14,18H,3,8-12H2,1-2H3.
What are the key properties of 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 103987126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).