1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine

C22H22N4O — CID 66794197

IUPAC1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine
SMILESCCOc1ccc(-n2cnc3cc(NCc4ccc(C)cn4)ccc32)cc1
InChIInChI=1S/C22H22N4O/c1-3-27-20-9-7-19(8-10-20)26-15-25-21-12-17(6-11-22(21)26)24-14-18-5-4-16(2)13-23-18/h4-13,15,24H,3,14H2,1-2H3
InChIKeyUSTOHSZJWICWQM-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.74
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine

1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine (PubChem CID 66794197) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine
PubChem CID66794197
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine
SMILESCCOc1ccc(-n2cnc3cc(NCc4ccc(C)cn4)ccc32)cc1
InChIInChI=1S/C22H22N4O/c1-3-27-20-9-7-19(8-10-20)26-15-25-21-12-17(6-11-22(21)26)24-14-18-5-4-16(2)13-23-18/h4-13,15,24H,3,14H2,1-2H3
InChIKeyUSTOHSZJWICWQM-UHFFFAOYSA-N
XLogP4.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine (CID 66794197) is 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine is CCOc1ccc(-n2cnc3cc(NCc4ccc(C)cn4)ccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine?
The InChIKey is USTOHSZJWICWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-27-20-9-7-19(8-10-20)26-15-25-21-12-17(6-11-22(21)26)24-14-18-5-4-16(2)13-23-18/h4-13,15,24H,3,14H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine?
1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine has a molecular weight of 358.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 66794197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).