3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide

C18H18FN3O — CID 17473012

IUPAC3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C18H18FN3O/c1-12-6-7-13(10-14(12)19)11-20-18(23)9-8-17-21-15-4-2-3-5-16(15)22-17/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyVYINYIJBRFSLSZ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.26
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide (PubChem CID 17473012) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
PubChem CID17473012
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1F
InChIInChI=1S/C18H18FN3O/c1-12-6-7-13(10-14(12)19)11-20-18(23)9-8-17-21-15-4-2-3-5-16(15)22-17/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyVYINYIJBRFSLSZ-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

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 24612843
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
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N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
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2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
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CID 43471392
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide
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N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 35955632
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide (CID 17473012) is 3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1F.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
The InChIKey is VYINYIJBRFSLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-12-6-7-13(10-14(12)19)11-20-18(23)9-8-17-21-15-4-2-3-5-16(15)22-17/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)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-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 17473012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).