2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine

C19H16ClN7 — CID 118095441

IUPAC2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2)nc(-n2c(C3CC3)nc3ccccc32)n1
InChIInChI=1S/C19H16ClN7/c20-12-7-9-13(10-8-12)22-18-24-17(21)25-19(26-18)27-15-4-2-1-3-14(15)23-16(27)11-5-6-11/h1-4,7-11H,5-6H2,(H3,21,22,24,25,26)
InChIKeyJUZATMIYXIVLGV-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.07
Rot. Bonds4

About 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 118095441) has the molecular formula C19H16ClN7 and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID118095441
Molecular FormulaC19H16ClN7
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2)nc(-n2c(C3CC3)nc3ccccc32)n1
InChIInChI=1S/C19H16ClN7/c20-12-7-9-13(10-8-12)22-18-24-17(21)25-19(26-18)27-15-4-2-1-3-14(15)23-16(27)11-5-6-11/h1-4,7-11H,5-6H2,(H3,21,22,24,25,26)
InChIKeyJUZATMIYXIVLGV-UHFFFAOYSA-N
XLogP4.07
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 118095441) is 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccc(Cl)cc2)nc(-n2c(C3CC3)nc3ccccc32)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JUZATMIYXIVLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7/c20-12-7-9-13(10-8-12)22-18-24-17(21)25-19(26-18)27-15-4-2-1-3-14(15)23-16(27)11-5-6-11/h1-4,7-11H,5-6H2,(H3,21,22,24,25,26).
What are the key properties of 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 377.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-(2-cyclopropylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118095441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).