N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C24H21FN4O2 — CID 78886875

IUPACN-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H21FN4O2/c25-19-8-4-5-16(11-19)12-22(30)26-14-23(31)29-24(17-6-2-1-3-7-17)18-9-10-20-21(13-18)28-15-27-20/h1-11,13,15,24H,12,14H2,(H,26,30)(H,27,28)(H,29,31)
InChIKeyMQGBODDTRNKBSR-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.27
Rot. Bonds7

About N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 78886875) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID78886875
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C24H21FN4O2/c25-19-8-4-5-16(11-19)12-22(30)26-14-23(31)29-24(17-6-2-1-3-7-17)18-9-10-20-21(13-18)28-15-27-20/h1-11,13,15,24H,12,14H2,(H,26,30)(H,27,28)(H,29,31)
InChIKeyMQGBODDTRNKBSR-UHFFFAOYSA-N
XLogP3.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
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CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(3-methoxyphenyl)propanamide
CID 24666701
N-[(S)-3H-benzimidazol-5-yl(phenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 25474476
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-chlorophenyl)-4-oxobutanamide
CID 78839236
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119840634
1-[3H-benzimidazol-5-yl(phenyl)methyl]-3-[2-(2-fluorophenoxy)ethyl]urea
CID 42954456
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[3H-benzimidazol-5-yl(phenyl)methyl]cyclobutanecarboxamide
CID 47018726
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 78886875) is N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NCC(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is MQGBODDTRNKBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-19-8-4-5-16(11-19)12-22(30)26-14-23(31)29-24(17-6-2-1-3-7-17)18-9-10-20-21(13-18)28-15-27-20/h1-11,13,15,24H,12,14H2,(H,26,30)(H,27,28)(H,29,31).
What are the key properties of N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 416.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3H-benzimidazol-5-yl(phenyl)methyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 78886875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).