4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine

C17H20N4 — CID 62464370

IUPAC4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(Cn2cnc3cc(C)c(C)cc32)ccn1
InChIInChI=1S/C17H20N4/c1-4-18-17-9-14(5-6-19-17)10-21-11-20-15-7-12(2)13(3)8-16(15)21/h5-9,11H,4,10H2,1-3H3,(H,18,19)
InChIKeyCLUUCIIVNZSXFO-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.53
Rot. Bonds4

About 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine

4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine (PubChem CID 62464370) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
PubChem CID62464370
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(Cn2cnc3cc(C)c(C)cc32)ccn1
InChIInChI=1S/C17H20N4/c1-4-18-17-9-14(5-6-19-17)10-21-11-20-15-7-12(2)13(3)8-16(15)21/h5-9,11H,4,10H2,1-3H3,(H,18,19)
InChIKeyCLUUCIIVNZSXFO-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 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine (CID 62464370) is 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine is CCNc1cc(Cn2cnc3cc(C)c(C)cc32)ccn1.
What is the InChIKey of 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
The InChIKey is CLUUCIIVNZSXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-4-18-17-9-14(5-6-19-17)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 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine?
4-[(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 4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62464370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).