2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide

C25H22N6O2S — CID 134361886

IUPAC2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1cc(-c2cscn2)nc2ccccc12
InChIInChI=1S/C25H22N6O2S/c1-15-28-24-18(25(26)32)10-16(30-6-8-33-9-7-30)11-23(24)31(15)22-12-20(21-13-34-14-27-21)29-19-5-3-2-4-17(19)22/h2-5,10-14H,6-9H2,1H3,(H2,26,32)
InChIKeyWACAFUQXSCNEKN-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.94
Rot. Bonds4

About 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide

2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide (PubChem CID 134361886) has the molecular formula C25H22N6O2S and a molecular weight of 470.56 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide
PubChem CID134361886
Molecular FormulaC25H22N6O2S
Molecular Weight470.56 g/mol
Exact Mass470.15
IUPAC Name2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1cc(-c2cscn2)nc2ccccc12
InChIInChI=1S/C25H22N6O2S/c1-15-28-24-18(25(26)32)10-16(30-6-8-33-9-7-30)11-23(24)31(15)22-12-20(21-13-34-14-27-21)29-19-5-3-2-4-17(19)22/h2-5,10-14H,6-9H2,1H3,(H2,26,32)
InChIKeyWACAFUQXSCNEKN-UHFFFAOYSA-N
XLogP3.94
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide?
The IUPAC name of 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide (CID 134361886) is 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide.
What is the SMILES notation for 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide?
The canonical SMILES for 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide is Cc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1cc(-c2cscn2)nc2ccccc12.
What is the InChIKey of 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide?
The InChIKey is WACAFUQXSCNEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S/c1-15-28-24-18(25(26)32)10-16(30-6-8-33-9-7-30)11-23(24)31(15)22-12-20(21-13-34-14-27-21)29-19-5-3-2-4-17(19)22/h2-5,10-14H,6-9H2,1H3,(H2,26,32).
What are the key properties of 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide?
2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide has a molecular weight of 470.56 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide is sourced from PubChem (CID 134361886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).