N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine

C17H12ClN3 — CID 146301079

IUPACN-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine
SMILESClc1ccccc1Nc1ccc2c(c1)nc1ccccn12
InChIInChI=1S/C17H12ClN3/c18-13-5-1-2-6-14(13)19-12-8-9-16-15(11-12)20-17-7-3-4-10-21(16)17/h1-11,19H
InChIKeyGJTULTJQVODFAP-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.88
Rot. Bonds2

About N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine

N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine (PubChem CID 146301079) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine
PubChem CID146301079
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC NameN-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine
SMILESClc1ccccc1Nc1ccc2c(c1)nc1ccccn12
InChIInChI=1S/C17H12ClN3/c18-13-5-1-2-6-14(13)19-12-8-9-16-15(11-12)20-17-7-3-4-10-21(16)17/h1-11,19H
InChIKeyGJTULTJQVODFAP-UHFFFAOYSA-N
XLogP4.88
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine?
The IUPAC name of N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine (CID 146301079) is N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine.
What is the SMILES notation for N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine?
The canonical SMILES for N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine is Clc1ccccc1Nc1ccc2c(c1)nc1ccccn12.
What is the InChIKey of N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine?
The InChIKey is GJTULTJQVODFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c18-13-5-1-2-6-14(13)19-12-8-9-16-15(11-12)20-17-7-3-4-10-21(16)17/h1-11,19H.
What are the key properties of N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine?
N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine has a molecular weight of 293.76 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)pyrido[1,2-a]benzimidazol-7-amine is sourced from PubChem (CID 146301079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).