1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine

C16H23N3 — CID 64668673

IUPAC1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(C(C)(N)C2CC2)nc2cc(C)ccc21
InChIInChI=1S/C16H23N3/c1-4-9-19-14-8-5-11(2)10-13(14)18-15(19)16(3,17)12-6-7-12/h5,8,10,12H,4,6-7,9,17H2,1-3H3
InChIKeyWPSWOMODFVJNEG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.34
Rot. Bonds4

About 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine

1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine (PubChem CID 64668673) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine
PubChem CID64668673
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine
SMILESCCCn1c(C(C)(N)C2CC2)nc2cc(C)ccc21
InChIInChI=1S/C16H23N3/c1-4-9-19-14-8-5-11(2)10-13(14)18-15(19)16(3,17)12-6-7-12/h5,8,10,12H,4,6-7,9,17H2,1-3H3
InChIKeyWPSWOMODFVJNEG-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-propylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669272
2-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
1-(5-chloro-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669270
1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669671
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate
CID 55189984
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
5-ethyl-3-(5-methyl-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 63615316
4-bromo-3-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 115296231
2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine (CID 64668673) is 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine is CCCn1c(C(C)(N)C2CC2)nc2cc(C)ccc21.
What is the InChIKey of 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine?
The InChIKey is WPSWOMODFVJNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-9-19-14-8-5-11(2)10-13(14)18-15(19)16(3,17)12-6-7-12/h5,8,10,12H,4,6-7,9,17H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine?
1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 64668673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).