(8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine

C18H19N3 — CID 81455777

IUPAC(8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine
SMILESNCc1ccn2c3c(nc2c1)CCC(c1ccccc1)C3
InChIInChI=1S/C18H19N3/c19-12-13-8-9-21-17-11-15(14-4-2-1-3-5-14)6-7-16(17)20-18(21)10-13/h1-5,8-10,15H,6-7,11-12,19H2
InChIKeyJVDBAHSXBLSBPJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.07
Rot. Bonds2

About (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine

(8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine (PubChem CID 81455777) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine.

Molecular Properties

Compound Name(8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine
PubChem CID81455777
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine
SMILESNCc1ccn2c3c(nc2c1)CCC(c1ccccc1)C3
InChIInChI=1S/C18H19N3/c19-12-13-8-9-21-17-11-15(14-4-2-1-3-5-14)6-7-16(17)20-18(21)10-13/h1-5,8-10,15H,6-7,11-12,19H2
InChIKeyJVDBAHSXBLSBPJ-UHFFFAOYSA-N
XLogP3.07
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine?
The IUPAC name of (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine (CID 81455777) is (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine.
What is the SMILES notation for (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine?
The canonical SMILES for (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine is NCc1ccn2c3c(nc2c1)CCC(c1ccccc1)C3.
What is the InChIKey of (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine?
The InChIKey is JVDBAHSXBLSBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c19-12-13-8-9-21-17-11-15(14-4-2-1-3-5-14)6-7-16(17)20-18(21)10-13/h1-5,8-10,15H,6-7,11-12,19H2.
What are the key properties of (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine?
(8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-3-yl)methanamine is sourced from PubChem (CID 81455777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).