N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide

C22H16ClF2N3O — CID 18733885

IUPACN-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide
SMILESCN(Cc1nc2ccc(Cl)cc2n1-c1ccccc1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C22H16ClF2N3O/c1-27(22(29)16-8-5-9-17(24)21(16)25)13-20-26-18-11-10-14(23)12-19(18)28(20)15-6-3-2-4-7-15/h2-12H,13H2,1H3
InChIKeyCYYGRRIFNHXTPI-UHFFFAOYSA-N
MW411.84 g/mol
LogP5.23
Rot. Bonds4

About N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide

N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide (PubChem CID 18733885) has the molecular formula C22H16ClF2N3O and a molecular weight of 411.84 g/mol. Its IUPAC name is N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide
PubChem CID18733885
Molecular FormulaC22H16ClF2N3O
Molecular Weight411.84 g/mol
Exact Mass411.09
IUPAC NameN-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide
SMILESCN(Cc1nc2ccc(Cl)cc2n1-c1ccccc1)C(=O)c1cccc(F)c1F
InChIInChI=1S/C22H16ClF2N3O/c1-27(22(29)16-8-5-9-17(24)21(16)25)13-20-26-18-11-10-14(23)12-19(18)28(20)15-6-3-2-4-7-15/h2-12H,13H2,1H3
InChIKeyCYYGRRIFNHXTPI-UHFFFAOYSA-N
XLogP5.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.84
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide?
The IUPAC name of N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide (CID 18733885) is N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide is CN(Cc1nc2ccc(Cl)cc2n1-c1ccccc1)C(=O)c1cccc(F)c1F.
What is the InChIKey of N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide?
The InChIKey is CYYGRRIFNHXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N3O/c1-27(22(29)16-8-5-9-17(24)21(16)25)13-20-26-18-11-10-14(23)12-19(18)28(20)15-6-3-2-4-7-15/h2-12H,13H2,1H3.
What are the key properties of N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide?
N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide has a molecular weight of 411.84 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-phenylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-methylbenzamide is sourced from PubChem (CID 18733885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).