6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide

C23H17ClN6O — CID 134362633

IUPAC6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(-c3ccnc(N)c3)cc2n1-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C23H17ClN6O/c1-12-29-22-16(23(26)31)9-14(13-5-7-27-20(25)11-13)10-19(22)30(12)18-6-8-28-21-15(18)3-2-4-17(21)24/h2-11H,1H3,(H2,25,27)(H2,26,31)
InChIKeyYJAUYPISZZZKBJ-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.28
Rot. Bonds3

About 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide

6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide (PubChem CID 134362633) has the molecular formula C23H17ClN6O and a molecular weight of 428.88 g/mol. Its IUPAC name is 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide
PubChem CID134362633
Molecular FormulaC23H17ClN6O
Molecular Weight428.88 g/mol
Exact Mass428.12
IUPAC Name6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(-c3ccnc(N)c3)cc2n1-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C23H17ClN6O/c1-12-29-22-16(23(26)31)9-14(13-5-7-27-20(25)11-13)10-19(22)30(12)18-6-8-28-21-15(18)3-2-4-17(21)24/h2-11H,1H3,(H2,25,27)(H2,26,31)
InChIKeyYJAUYPISZZZKBJ-UHFFFAOYSA-N
XLogP4.28
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide?
The IUPAC name of 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide (CID 134362633) is 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide is Cc1nc2c(C(N)=O)cc(-c3ccnc(N)c3)cc2n1-c1ccnc2c(Cl)cccc12.
What is the InChIKey of 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide?
The InChIKey is YJAUYPISZZZKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O/c1-12-29-22-16(23(26)31)9-14(13-5-7-27-20(25)11-13)10-19(22)30(12)18-6-8-28-21-15(18)3-2-4-17(21)24/h2-11H,1H3,(H2,25,27)(H2,26,31).
What are the key properties of 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide?
6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-pyridinyl)-1-(8-chloroquinolin-4-yl)-2-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134362633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).