(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine

C17H25N3 — CID 81396604

IUPAC(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCC1)c1nc2ccccc2n1C
InChIInChI=1S/C17H25N3/c1-12(14-8-4-5-9-14)18-13(2)17-19-15-10-6-7-11-16(15)20(17)3/h6-7,10-14,18H,4-5,8-9H2,1-3H3/t12-,13?/m1/s1
InChIKeyUZTSQUNPDQGKGS-PZORYLMUSA-N
MW271.41 g/mol
LogP3.80
Rot. Bonds4

About (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine

(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine (PubChem CID 81396604) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
PubChem CID81396604
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)C1CCCC1)c1nc2ccccc2n1C
InChIInChI=1S/C17H25N3/c1-12(14-8-4-5-9-14)18-13(2)17-19-15-10-6-7-11-16(15)20(17)3/h6-7,10-14,18H,4-5,8-9H2,1-3H3/t12-,13?/m1/s1
InChIKeyUZTSQUNPDQGKGS-PZORYLMUSA-N
XLogP3.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine (CID 81396604) is (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine is CC(N[C@H](C)C1CCCC1)c1nc2ccccc2n1C.
What is the InChIKey of (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
The InChIKey is UZTSQUNPDQGKGS-PZORYLMUSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(14-8-4-5-9-14)18-13(2)17-19-15-10-6-7-11-16(15)20(17)3/h6-7,10-14,18H,4-5,8-9H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine?
(1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81396604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).