2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine

C14H19N3 — CID 82495022

IUPAC2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C14H19N3/c1-14(2,15-3)10-4-7-13-12(8-10)16-9-17(13)11-5-6-11/h4,7-9,11,15H,5-6H2,1-3H3
InChIKeyNSPIRDGRXZUNQL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.83
Rot. Bonds3

About 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine

2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine (PubChem CID 82495022) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine
PubChem CID82495022
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C14H19N3/c1-14(2,15-3)10-4-7-13-12(8-10)16-9-17(13)11-5-6-11/h4,7-9,11,15H,5-6H2,1-3H3
InChIKeyNSPIRDGRXZUNQL-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine (CID 82495022) is 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine is CNC(C)(C)c1ccc2c(c1)ncn2C1CC1.
What is the InChIKey of 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine?
The InChIKey is NSPIRDGRXZUNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(2,15-3)10-4-7-13-12(8-10)16-9-17(13)11-5-6-11/h4,7-9,11,15H,5-6H2,1-3H3.
What are the key properties of 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine?
2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 82495022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).