3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine

C15H21N3 — CID 96674760

IUPAC3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C15H21N3/c1-16-9-3-4-11-5-8-14-13(10-11)17-15(18(14)2)12-6-7-12/h5,8,10,12,16H,3-4,6-7,9H2,1-2H3
InChIKeyAMQCKDMKFISXLB-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.60
Rot. Bonds5

About 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine

3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine (PubChem CID 96674760) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
PubChem CID96674760
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C15H21N3/c1-16-9-3-4-11-5-8-14-13(10-11)17-15(18(14)2)12-6-7-12/h5,8,10,12,16H,3-4,6-7,9H2,1-2H3
InChIKeyAMQCKDMKFISXLB-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine (CID 96674760) is 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine is CNCCCc1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is AMQCKDMKFISXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-16-9-3-4-11-5-8-14-13(10-11)17-15(18(14)2)12-6-7-12/h5,8,10,12,16H,3-4,6-7,9H2,1-2H3.
What are the key properties of 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine?
3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 96674760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).