1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide

C21H22F2N4O2 — CID 3243717

IUPAC1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1-c1ccc(F)cc1F
InChIInChI=1S/C21H22F2N4O2/c1-14-25-18-12-15(21(28)24-6-7-26-8-10-29-11-9-26)2-4-20(18)27(14)19-5-3-16(22)13-17(19)23/h2-5,12-13H,6-11H2,1H3,(H,24,28)
InChIKeyHPAKOGINWWBKLC-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.67
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide

1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide (PubChem CID 3243717) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
PubChem CID3243717
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1-c1ccc(F)cc1F
InChIInChI=1S/C21H22F2N4O2/c1-14-25-18-12-15(21(28)24-6-7-26-8-10-29-11-9-26)2-4-20(18)27(14)19-5-3-16(22)13-17(19)23/h2-5,12-13H,6-11H2,1H3,(H,24,28)
InChIKeyHPAKOGINWWBKLC-UHFFFAOYSA-N
XLogP2.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide (CID 3243717) is 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCCN3CCOCC3)ccc2n1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
The InChIKey is HPAKOGINWWBKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-14-25-18-12-15(21(28)24-6-7-26-8-10-29-11-9-26)2-4-20(18)27(14)19-5-3-16(22)13-17(19)23/h2-5,12-13H,6-11H2,1H3,(H,24,28).
What are the key properties of 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide?
1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 3243717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).