1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine

C16H18N4 — CID 62293983

IUPAC1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(-n2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C16H18N4/c1-11-6-14-15(7-12(11)2)20(10-19-14)16-8-13(9-17-3)4-5-18-16/h4-8,10,17H,9H2,1-3H3
InChIKeyVOXCDIYSTUHKHY-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.76
Rot. Bonds3

About 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 62293983) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID62293983
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(-n2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C16H18N4/c1-11-6-14-15(7-12(11)2)20(10-19-14)16-8-13(9-17-3)4-5-18-16/h4-8,10,17H,9H2,1-3H3
InChIKeyVOXCDIYSTUHKHY-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 62293983) is 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(-n2cnc3cc(C)c(C)cc32)c1.
What is the InChIKey of 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is VOXCDIYSTUHKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-6-14-15(7-12(11)2)20(10-19-14)16-8-13(9-17-3)4-5-18-16/h4-8,10,17H,9H2,1-3H3.
What are the key properties of 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62293983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).