1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine

C14H19N3 — CID 79750402

IUPAC1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CC(N)C2CCC2)nc2ccccc21
InChIInChI=1S/C14H19N3/c1-17-13-8-3-2-7-12(13)16-14(17)9-11(15)10-5-4-6-10/h2-3,7-8,10-11H,4-6,9,15H2,1H3
InChIKeyMAJWBNLESITDMS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.24
Rot. Bonds3

About 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine

1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 79750402) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID79750402
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CC(N)C2CCC2)nc2ccccc21
InChIInChI=1S/C14H19N3/c1-17-13-8-3-2-7-12(13)16-14(17)9-11(15)10-5-4-6-10/h2-3,7-8,10-11H,4-6,9,15H2,1H3
InChIKeyMAJWBNLESITDMS-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 105007641
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
1-(oxan-4-yl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757035
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-3-yl)ethanol
CID 105111555
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515
2-(1-methylbenzimidazol-2-yl)-1-(thiolan-2-yl)ethanol
CID 80622676

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 79750402) is 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine is Cn1c(CC(N)C2CCC2)nc2ccccc21.
What is the InChIKey of 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is MAJWBNLESITDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-13-8-3-2-7-12(13)16-14(17)9-11(15)10-5-4-6-10/h2-3,7-8,10-11H,4-6,9,15H2,1H3.
What are the key properties of 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine?
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 79750402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).