N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

C25H23F2N3O — CID 18734329

IUPACN-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCn1c(CN(Cc2ccccc2)C(=O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C25H23F2N3O/c1-2-14-30-23-11-7-6-10-22(23)28-24(30)17-29(16-18-8-4-3-5-9-18)25(31)19-12-13-20(26)21(27)15-19/h3-13,15H,2,14,16-17H2,1H3
InChIKeySXSFEDLPXIEJMA-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.57
Rot. Bonds7

About N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide

N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 18734329) has the molecular formula C25H23F2N3O and a molecular weight of 419.48 g/mol. Its IUPAC name is N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
PubChem CID18734329
Molecular FormulaC25H23F2N3O
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCn1c(CN(Cc2ccccc2)C(=O)c2ccc(F)c(F)c2)nc2ccccc21
InChIInChI=1S/C25H23F2N3O/c1-2-14-30-23-11-7-6-10-22(23)28-24(30)17-29(16-18-8-4-3-5-9-18)25(31)19-12-13-20(26)21(27)15-19/h3-13,15H,2,14,16-17H2,1H3
InChIKeySXSFEDLPXIEJMA-UHFFFAOYSA-N
XLogP5.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 18734372
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732740
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18732892
N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide
CID 20800941
N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride
CID 171151744
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 18733036
N-benzyl-2-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-bromo-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide;N-benzyl-2-bromo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide;N-benzyl-3-iodo-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 158694843
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide (CID 18734329) is N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is CCCn1c(CN(Cc2ccccc2)C(=O)c2ccc(F)c(F)c2)nc2ccccc21.
What is the InChIKey of N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is SXSFEDLPXIEJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O/c1-2-14-30-23-11-7-6-10-22(23)28-24(30)17-29(16-18-8-4-3-5-9-18)25(31)19-12-13-20(26)21(27)15-19/h3-13,15H,2,14,16-17H2,1H3.
What are the key properties of N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide?
N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 419.48 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 18734329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).