N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine

C15H20N4 — CID 106907507

IUPACN-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine
SMILESCNCc1cccc(Cn2cnc3c2CCCC3)n1
InChIInChI=1S/C15H20N4/c1-16-9-12-5-4-6-13(18-12)10-19-11-17-14-7-2-3-8-15(14)19/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyMIAMOIBXWMEKRK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.92
Rot. Bonds4

About N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine

N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine (PubChem CID 106907507) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine
PubChem CID106907507
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine
SMILESCNCc1cccc(Cn2cnc3c2CCCC3)n1
InChIInChI=1S/C15H20N4/c1-16-9-12-5-4-6-13(18-12)10-19-11-17-14-7-2-3-8-15(14)19/h4-6,11,16H,2-3,7-10H2,1H3
InChIKeyMIAMOIBXWMEKRK-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine (CID 106907507) is N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine is CNCc1cccc(Cn2cnc3c2CCCC3)n1.
What is the InChIKey of N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine?
The InChIKey is MIAMOIBXWMEKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-9-12-5-4-6-13(18-12)10-19-11-17-14-7-2-3-8-15(14)19/h4-6,11,16H,2-3,7-10H2,1H3.
What are the key properties of N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine?
N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(4,5,6,7-tetrahydrobenzimidazol-1-ylmethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 106907507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).