N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide

C26H26FN3O — CID 18733309

IUPACN-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2ccccc2n1Cc1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C26H26FN3O/c1-19(2)16-29(26(31)21-12-6-7-13-22(21)27)18-25-28-23-14-8-9-15-24(23)30(25)17-20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3
InChIKeyOZYNUSZDWIUGPT-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.52
Rot. Bonds7

About N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide

N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 18733309) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide
PubChem CID18733309
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC NameN-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2ccccc2n1Cc1ccccc1)C(=O)c1ccccc1F
InChIInChI=1S/C26H26FN3O/c1-19(2)16-29(26(31)21-12-6-7-13-22(21)27)18-25-28-23-14-8-9-15-24(23)30(25)17-20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3
InChIKeyOZYNUSZDWIUGPT-UHFFFAOYSA-N
XLogP5.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
2-(2-benzylbenzimidazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 16995629
2-chloro-N-(2-methylpropyl)-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5-(trifluoromethyl)benzamide
CID 20800927
3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 18733277
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983136
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
2-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl-(2-methylpropyl)amino]acetamide
CID 78877135

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide (CID 18733309) is N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1nc2ccccc2n1Cc1ccccc1)C(=O)c1ccccc1F.
What is the InChIKey of N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is OZYNUSZDWIUGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O/c1-19(2)16-29(26(31)21-12-6-7-13-22(21)27)18-25-28-23-14-8-9-15-24(23)30(25)17-20-10-4-3-5-11-20/h3-15,19H,16-18H2,1-2H3.
What are the key properties of N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 415.51 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylbenzimidazol-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).