N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine

C11H15N3 — CID 26722492

IUPACN-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCNCCc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C11H15N3/c1-8-4-3-5-9-11(8)14-10(13-9)6-7-12-2/h3-5,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyLFARBAVQYFZEMY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.63
Rot. Bonds3

About N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine

N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 26722492) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID26722492
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCNCCc1nc2c(C)cccc2[nH]1
InChIInChI=1S/C11H15N3/c1-8-4-3-5-9-11(8)14-10(13-9)6-7-12-2/h3-5,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyLFARBAVQYFZEMY-UHFFFAOYSA-N
XLogP1.63
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine (CID 26722492) is N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine is CNCCc1nc2c(C)cccc2[nH]1.
What is the InChIKey of N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is LFARBAVQYFZEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-4-3-5-9-11(8)14-10(13-9)6-7-12-2/h3-5,12H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine?
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 189.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 26722492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).