1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine

C16H23N3 — CID 79750551

IUPAC1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
SMILESCCn1c(CC(NC)C2CCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-3-19-15-10-5-4-9-13(15)18-16(19)11-14(17-2)12-7-6-8-12/h4-5,9-10,12,14,17H,3,6-8,11H2,1-2H3
InChIKeyFIMXYAFHZVTHHH-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.99
Rot. Bonds5

About 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine

1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine (PubChem CID 79750551) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
PubChem CID79750551
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine
SMILESCCn1c(CC(NC)C2CCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-3-19-15-10-5-4-9-13(15)18-16(19)11-14(17-2)12-7-6-8-12/h4-5,9-10,12,14,17H,3,6-8,11H2,1-2H3
InChIKeyFIMXYAFHZVTHHH-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)-1-(3-methylcyclohexyl)ethanol
CID 79755078
N-methyl-1-(oxolan-3-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757032
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
1-cyclopropyl-N-ethyl-4-(1-ethylbenzimidazol-2-yl)butan-1-amine
CID 79757596
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007530
1-(1-ethylbenzimidazol-2-yl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987126
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
1-ethoxy-3-(1-ethylbenzimidazol-2-yl)-N-methylpropan-2-amine
CID 79751086
2-(1-ethylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622777
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 79756296

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine (CID 79750551) is 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine is CCn1c(CC(NC)C2CCC2)nc2ccccc21.
What is the InChIKey of 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine?
The InChIKey is FIMXYAFHZVTHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-19-15-10-5-4-9-13(15)18-16(19)11-14(17-2)12-7-6-8-12/h4-5,9-10,12,14,17H,3,6-8,11H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine?
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 79750551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).