1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine

C14H19N3 — CID 82495003

IUPAC1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
SMILESCNC(C)c1ccc2c(c1)nc(C)n2C1CC1
InChIInChI=1S/C14H19N3/c1-9(15-3)11-4-7-14-13(8-11)16-10(2)17(14)12-5-6-12/h4,7-9,12,15H,5-6H2,1-3H3
InChIKeyUJRXDZNMFVVEJJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.96
Rot. Bonds3

About 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine

1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine (PubChem CID 82495003) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
PubChem CID82495003
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
SMILESCNC(C)c1ccc2c(c1)nc(C)n2C1CC1
InChIInChI=1S/C14H19N3/c1-9(15-3)11-4-7-14-13(8-11)16-10(2)17(14)12-5-6-12/h4,7-9,12,15H,5-6H2,1-3H3
InChIKeyUJRXDZNMFVVEJJ-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine (CID 82495003) is 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine is CNC(C)c1ccc2c(c1)nc(C)n2C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine?
The InChIKey is UJRXDZNMFVVEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9(15-3)11-4-7-14-13(8-11)16-10(2)17(14)12-5-6-12/h4,7-9,12,15H,5-6H2,1-3H3.
What are the key properties of 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine?
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 82495003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).