N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide

C24H18FN5O — CID 44530732

IUPACN-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1
InChIInChI=1S/C24H18FN5O/c25-18-6-9-21-22(11-18)30-24(29-21)17-3-1-2-16(10-17)15-4-7-19(8-5-15)28-23(31)12-20-13-26-14-27-20/h1-11,13-14H,12H2,(H,26,27)(H,28,31)(H,29,30)
InChIKeyUPUBVQZDKZSJBW-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.94
Rot. Bonds5

About N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide

N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 44530732) has the molecular formula C24H18FN5O and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID44530732
Molecular FormulaC24H18FN5O
Molecular Weight411.44 g/mol
Exact Mass411.15
IUPAC NameN-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1
InChIInChI=1S/C24H18FN5O/c25-18-6-9-21-22(11-18)30-24(29-21)17-3-1-2-16(10-17)15-4-7-19(8-5-15)28-23(31)12-20-13-26-14-27-20/h1-11,13-14H,12H2,(H,26,27)(H,28,31)(H,29,30)
InChIKeyUPUBVQZDKZSJBW-UHFFFAOYSA-N
XLogP4.94
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(1H-imidazol-5-yl)acetamide
CID 44530730
2-(1H-imidazol-5-yl)-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]acetamide
CID 44530736
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 44530936
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
1-(3-cyanophenyl)-3-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]urea
CID 44525377
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-pyridin-3-ylacetamide
CID 146021518
4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide
CID 44530597
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
2-acetamido-N-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
CID 44530705

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide (CID 44530732) is N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide is O=C(Cc1cnc[nH]1)Nc1ccc(-c2cccc(-c3nc4ccc(F)cc4[nH]3)c2)cc1.
What is the InChIKey of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is UPUBVQZDKZSJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O/c25-18-6-9-21-22(11-18)30-24(29-21)17-3-1-2-16(10-17)15-4-7-19(8-5-15)28-23(31)12-20-13-26-14-27-20/h1-11,13-14H,12H2,(H,26,27)(H,28,31)(H,29,30).
What are the key properties of N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide?
N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 411.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 44530732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).