N,N-dimethyl-2-propylbenzimidazol-2-amine

C12H17N3 — CID 10013136

IUPACN,N-dimethyl-2-propylbenzimidazol-2-amine
SMILESCCCC1(N(C)C)N=c2ccccc2=N1
InChIInChI=1S/C12H17N3/c1-4-9-12(15(2)3)13-10-7-5-6-8-11(10)14-12/h5-8H,4,9H2,1-3H3
InChIKeyWIXXMRHZIATHOI-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.95
Rot. Bonds3

About N,N-dimethyl-2-propylbenzimidazol-2-amine

N,N-dimethyl-2-propylbenzimidazol-2-amine (PubChem CID 10013136) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N,N-dimethyl-2-propylbenzimidazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-propylbenzimidazol-2-amine
PubChem CID10013136
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN,N-dimethyl-2-propylbenzimidazol-2-amine
SMILESCCCC1(N(C)C)N=c2ccccc2=N1
InChIInChI=1S/C12H17N3/c1-4-9-12(15(2)3)13-10-7-5-6-8-11(10)14-12/h5-8H,4,9H2,1-3H3
InChIKeyWIXXMRHZIATHOI-UHFFFAOYSA-N
XLogP0.95
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-propylbenzimidazol-2-amine?
The IUPAC name of N,N-dimethyl-2-propylbenzimidazol-2-amine (CID 10013136) is N,N-dimethyl-2-propylbenzimidazol-2-amine.
What is the SMILES notation for N,N-dimethyl-2-propylbenzimidazol-2-amine?
The canonical SMILES for N,N-dimethyl-2-propylbenzimidazol-2-amine is CCCC1(N(C)C)N=c2ccccc2=N1.
What is the InChIKey of N,N-dimethyl-2-propylbenzimidazol-2-amine?
The InChIKey is WIXXMRHZIATHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-9-12(15(2)3)13-10-7-5-6-8-11(10)14-12/h5-8H,4,9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-propylbenzimidazol-2-amine?
N,N-dimethyl-2-propylbenzimidazol-2-amine has a molecular weight of 203.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-propylbenzimidazol-2-amine is sourced from PubChem (CID 10013136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).