3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide

C18H18FN3O — CID 110785648

IUPAC3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2ccc(CNC(=O)CCc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C18H18FN3O/c1-12-21-16-8-4-14(10-17(16)22-12)11-20-18(23)9-5-13-2-6-15(19)7-3-13/h2-4,6-8,10H,5,9,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyJUHHXYTYGBGFNJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.26
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide

3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide (PubChem CID 110785648) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
PubChem CID110785648
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2ccc(CNC(=O)CCc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C18H18FN3O/c1-12-21-16-8-4-14(10-17(16)22-12)11-20-18(23)9-5-13-2-6-15(19)7-3-13/h2-4,6-8,10H,5,9,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyJUHHXYTYGBGFNJ-UHFFFAOYSA-N
XLogP3.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-(3-fluorophenoxy)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785663
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 90652899
N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
CID 18129844
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide
CID 42290688
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
4-[(2-methyl-3H-benzimidazol-5-yl)methylamino]butan-2-one
CID 115235708

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide (CID 110785648) is 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide is Cc1nc2ccc(CNC(=O)CCc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide?
The InChIKey is JUHHXYTYGBGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-12-21-16-8-4-14(10-17(16)22-12)11-20-18(23)9-5-13-2-6-15(19)7-3-13/h2-4,6-8,10H,5,9,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide?
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide has a molecular weight of 311.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 110785648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).