N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C23H17F2N5O2 — CID 171652065

IUPACN-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)NCc3ccc4c(c3)ncn4-c3c(F)cccc3F)ccc21
InChIInChI=1S/C23H17F2N5O2/c1-29-19-8-6-14(10-18(19)28-23(29)32)22(31)26-11-13-5-7-20-17(9-13)27-12-30(20)21-15(24)3-2-4-16(21)25/h2-10,12H,11H2,1H3,(H,26,31)(H,28,32)
InChIKeyQBXSIOHMCIKJMR-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.41
Rot. Bonds4

About N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide

N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 171652065) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID171652065
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC NameN-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)NCc3ccc4c(c3)ncn4-c3c(F)cccc3F)ccc21
InChIInChI=1S/C23H17F2N5O2/c1-29-19-8-6-14(10-18(19)28-23(29)32)22(31)26-11-13-5-7-20-17(9-13)27-12-30(20)21-15(24)3-2-4-16(21)25/h2-10,12H,11H2,1H3,(H,26,31)(H,28,32)
InChIKeyQBXSIOHMCIKJMR-UHFFFAOYSA-N
XLogP3.41
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 171652065) is N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is Cn1c(=O)[nH]c2cc(C(=O)NCc3ccc4c(c3)ncn4-c3c(F)cccc3F)ccc21.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is QBXSIOHMCIKJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c1-29-19-8-6-14(10-18(19)28-23(29)32)22(31)26-11-13-5-7-20-17(9-13)27-12-30(20)21-15(24)3-2-4-16(21)25/h2-10,12H,11H2,1H3,(H,26,31)(H,28,32).
What are the key properties of N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 171652065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).