3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide

C18H18FN3O — CID 134012463

IUPAC3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCn1cnc2ccccc21
InChIInChI=1S/C18H18FN3O/c1-21(12-14-6-8-15(19)9-7-14)18(23)10-11-22-13-20-16-4-2-3-5-17(16)22/h2-9,13H,10-12H2,1H3
InChIKeyGQRODGIWUXAPGH-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.22
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide

3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 134012463) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID134012463
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CCn1cnc2ccccc21
InChIInChI=1S/C18H18FN3O/c1-21(12-14-6-8-15(19)9-7-14)18(23)10-11-22-13-20-16-4-2-3-5-17(16)22/h2-9,13H,10-12H2,1H3
InChIKeyGQRODGIWUXAPGH-UHFFFAOYSA-N
XLogP3.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
3-[3-(benzimidazol-1-yl)propyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 51274415
3-(benzimidazol-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 155952946
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
N-benzyl-3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-methylpropanamide
CID 16882698
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
4-(benzimidazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 43218269
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
2-[3-(benzimidazol-1-yl)propanoyl-ethylamino]acetic acid
CID 61022250
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide
CID 46470686
N-[(2-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51271973

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide (CID 134012463) is 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1ccc(F)cc1)C(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is GQRODGIWUXAPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-21(12-14-6-8-15(19)9-7-14)18(23)10-11-22-13-20-16-4-2-3-5-17(16)22/h2-9,13H,10-12H2,1H3.
What are the key properties of 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide?
3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 311.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 134012463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).