1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine

C11H15N3 — CID 84618784

IUPAC1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C11H15N3/c1-7-4-5-9-11(8(7)2)14-10(13-9)6-12-3/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyFQZMQCKHULJYNC-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.90
Rot. Bonds2

About 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine

1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine (PubChem CID 84618784) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
PubChem CID84618784
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1nc2c(C)c(C)ccc2[nH]1
InChIInChI=1S/C11H15N3/c1-7-4-5-9-11(8(7)2)14-10(13-9)6-12-3/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeyFQZMQCKHULJYNC-UHFFFAOYSA-N
XLogP1.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine (CID 84618784) is 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine is CNCc1nc2c(C)c(C)ccc2[nH]1.
What is the InChIKey of 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine?
The InChIKey is FQZMQCKHULJYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-7-4-5-9-11(8(7)2)14-10(13-9)6-12-3/h4-5,12H,6H2,1-3H3,(H,13,14).
What are the key properties of 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine?
1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine has a molecular weight of 189.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84618784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).