N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide

C22H14ClF2N5O — CID 135750770

IUPACN-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1c(F)cc(Cl)cc1F)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C22H14ClF2N5O/c23-12-8-15(24)14(16(25)9-12)10-26-22(31)11-5-6-18-19(7-11)28-21(27-18)20-13-3-1-2-4-17(13)29-30-20/h1-9H,10H2,(H,26,31)(H,27,28)(H,29,30)
InChIKeyLPXNVSZAQUCFDU-UHFFFAOYSA-N
MW437.84 g/mol
LogP4.97
Rot. Bonds4

About N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide

N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 135750770) has the molecular formula C22H14ClF2N5O and a molecular weight of 437.84 g/mol. Its IUPAC name is N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID135750770
Molecular FormulaC22H14ClF2N5O
Molecular Weight437.84 g/mol
Exact Mass437.09
IUPAC NameN-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1c(F)cc(Cl)cc1F)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C22H14ClF2N5O/c23-12-8-15(24)14(16(25)9-12)10-26-22(31)11-5-6-18-19(7-11)28-21(27-18)20-13-3-1-2-4-17(13)29-30-20/h1-9H,10H2,(H,26,31)(H,27,28)(H,29,30)
InChIKeyLPXNVSZAQUCFDU-UHFFFAOYSA-N
XLogP4.97
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.84
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 135750768
2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 135750617
2-(1H-indazol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 135750628
N-[(2-chloro-6-fluorophenyl)methyl]-5-(1H-indazol-3-yl)furan-3-carboxamide
CID 146637557
(6-chloro-3-pyridinyl)methanamine;1-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]ethanone
CID 142236614
N-[[4-(3,5-dichlorophenyl)phenyl]methyl]-2-(4-methyl-4,5-dihydro-1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 142236432
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide
CID 44534673
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965604
2-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-N-[(4-fluorophenyl)methyl]-3-oxo-4H-quinoxaline-6-carboxamide
CID 135949237
4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde
CID 142236684
4-[[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 135820311

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 135750770) is N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide is O=C(NCc1c(F)cc(Cl)cc1F)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1.
What is the InChIKey of N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is LPXNVSZAQUCFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF2N5O/c23-12-8-15(24)14(16(25)9-12)10-26-22(31)11-5-6-18-19(7-11)28-21(27-18)20-13-3-1-2-4-17(13)29-30-20/h1-9H,10H2,(H,26,31)(H,27,28)(H,29,30).
What are the key properties of N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide?
N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 437.84 g/mol, XLogP of 4.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135750770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).