1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide

C24H23F2N5O2 — CID 134361708

IUPAC1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide
SMILESCCCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C24H23F2N5O2/c1-2-3-20-29-22-15(24(27)32)12-14(30-8-10-33-11-9-30)13-19(22)31(20)18-6-7-28-23-17(26)5-4-16(25)21(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H2,27,32)
InChIKeyDCYRAOVKQQMNIR-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.74
Rot. Bonds5

About 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide

1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide (PubChem CID 134361708) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide
PubChem CID134361708
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide
SMILESCCCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12
InChIInChI=1S/C24H23F2N5O2/c1-2-3-20-29-22-15(24(27)32)12-14(30-8-10-33-11-9-30)13-19(22)31(20)18-6-7-28-23-17(26)5-4-16(25)21(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H2,27,32)
InChIKeyDCYRAOVKQQMNIR-UHFFFAOYSA-N
XLogP3.74
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid
CID 134362089
methyl 1-(5-chloro-8-fluoroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362241
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
1-(8-chloro-5-fluoroquinolin-4-yl)-6-(2,3-difluoro-4-pyridinyl)-2-propylbenzimidazole-4-carboxamide
CID 134362714
4-[7-bromo-2-cyclopropyl-3-(5,8-difluoroquinolin-4-yl)benzimidazol-5-yl]morpholine
CID 134361727
tert-butyl N-[4-[7-carbamoyl-3-(8-chloro-5-fluoroquinolin-4-yl)-2-propylbenzimidazol-5-yl]-2-pyridinyl]carbamate
CID 140855051
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362194
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
1-(5,8-difluoroquinolin-4-yl)-6-(2-fluoro-6-methyl-4-pyridinyl)-2-methylbenzimidazole-4-carboxamide
CID 134362588

Frequently Asked Questions

What is the IUPAC name of 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide (CID 134361708) is 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide is CCCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)ccc(F)c12.
What is the InChIKey of 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide?
The InChIKey is DCYRAOVKQQMNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-2-3-20-29-22-15(24(27)32)12-14(30-8-10-33-11-9-30)13-19(22)31(20)18-6-7-28-23-17(26)5-4-16(25)21(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H2,27,32).
What are the key properties of 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide?
1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134361708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).