[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine

C16H18N4 — CID 65040719

IUPAC[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCc1ccc(-c2nc3cc(CN)ccc3n2C)c(C)n1
InChIInChI=1S/C16H18N4/c1-10-4-6-13(11(2)18-10)16-19-14-8-12(9-17)5-7-15(14)20(16)3/h4-8H,9,17H2,1-3H3
InChIKeyXTMIELLXHXNQNX-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.71
Rot. Bonds2

About [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine

[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine (PubChem CID 65040719) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine
PubChem CID65040719
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCc1ccc(-c2nc3cc(CN)ccc3n2C)c(C)n1
InChIInChI=1S/C16H18N4/c1-10-4-6-13(11(2)18-10)16-19-14-8-12(9-17)5-7-15(14)20(16)3/h4-8H,9,17H2,1-3H3
InChIKeyXTMIELLXHXNQNX-UHFFFAOYSA-N
XLogP2.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine (CID 65040719) is [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine is Cc1ccc(-c2nc3cc(CN)ccc3n2C)c(C)n1.
What is the InChIKey of [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine?
The InChIKey is XTMIELLXHXNQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-4-6-13(11(2)18-10)16-19-14-8-12(9-17)5-7-15(14)20(16)3/h4-8H,9,17H2,1-3H3.
What are the key properties of [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine?
[2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethyl-3-pyridinyl)-1-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65040719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).