2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide

C16H14FN3O — CID 2393619

IUPAC2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1nc2ccccc2[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-12-7-5-11(6-8-12)10-18-16(21)9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyFSHGADSNHAWCAV-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.56
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2393619) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2393619
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cc1nc2ccccc2[nH]1)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-12-7-5-11(6-8-12)10-18-16(21)9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20)
InChIKeyFSHGADSNHAWCAV-UHFFFAOYSA-N
XLogP2.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
[[2-(1H-benzimidazol-2-yl)acetyl]amino]methylphosphonic acid
CID 139908110
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide
CID 847863
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
N-(1H-benzimidazol-2-ylmethyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 21008793
2-(1H-benzimidazol-2-yl)-N-pentylacetamide
CID 67833301
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17473012
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7184363

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 2393619) is 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cc1nc2ccccc2[nH]1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is FSHGADSNHAWCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-12-7-5-11(6-8-12)10-18-16(21)9-15-19-13-3-1-2-4-14(13)20-15/h1-8H,9-10H2,(H,18,21)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 283.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2393619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).