3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole

C18H14N2O — CID 67300877

IUPAC3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
SMILESCOc1ccc(-c2ccn3c(c2)nc2ccccc23)cc1
InChIInChI=1S/C18H14N2O/c1-21-15-8-6-13(7-9-15)14-10-11-20-17-5-3-2-4-16(17)19-18(20)12-14/h2-12H,1H3
InChIKeyUNZWWAHAGNAXEU-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.16
Rot. Bonds2

About 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole

3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole (PubChem CID 67300877) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
PubChem CID67300877
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
SMILESCOc1ccc(-c2ccn3c(c2)nc2ccccc23)cc1
InChIInChI=1S/C18H14N2O/c1-21-15-8-6-13(7-9-15)14-10-11-20-17-5-3-2-4-16(17)19-18(20)12-14/h2-12H,1H3
InChIKeyUNZWWAHAGNAXEU-UHFFFAOYSA-N
XLogP4.16
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole?
The IUPAC name of 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole (CID 67300877) is 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole.
What is the SMILES notation for 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole?
The canonical SMILES for 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole is COc1ccc(-c2ccn3c(c2)nc2ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole?
The InChIKey is UNZWWAHAGNAXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-21-15-8-6-13(7-9-15)14-10-11-20-17-5-3-2-4-16(17)19-18(20)12-14/h2-12H,1H3.
What are the key properties of 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole?
3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole has a molecular weight of 274.32 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 67300877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).