5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine

C17H20N4 — CID 62207142

IUPAC5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cn2cnc3cc(C)c(C)cc32)cn1
InChIInChI=1S/C17H20N4/c1-4-18-17-6-5-14(9-19-17)10-21-11-20-15-7-12(2)13(3)8-16(15)21/h5-9,11H,4,10H2,1-3H3,(H,18,19)
InChIKeyPKJICZFSODZOGB-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.53
Rot. Bonds4

About 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine

5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine (PubChem CID 62207142) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
PubChem CID62207142
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(Cn2cnc3cc(C)c(C)cc32)cn1
InChIInChI=1S/C17H20N4/c1-4-18-17-6-5-14(9-19-17)10-21-11-20-15-7-12(2)13(3)8-16(15)21/h5-9,11H,4,10H2,1-3H3,(H,18,19)
InChIKeyPKJICZFSODZOGB-UHFFFAOYSA-N
XLogP3.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine (CID 62207142) is 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine is CCNc1ccc(Cn2cnc3cc(C)c(C)cc32)cn1.
What is the InChIKey of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The InChIKey is PKJICZFSODZOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-18-17-6-5-14(9-19-17)10-21-11-20-15-7-12(2)13(3)8-16(15)21/h5-9,11H,4,10H2,1-3H3,(H,18,19).
What are the key properties of 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine has a molecular weight of 280.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62207142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).