3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

C21H20FN5O — CID 70742540

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C21H20FN5O/c1-26(13-15-12-23-27(14-15)17-5-3-2-4-6-17)21(28)10-9-20-24-18-8-7-16(22)11-19(18)25-20/h2-8,11-12,14H,9-10,13H2,1H3,(H,24,25)
InChIKeyUDIJRQKJSCDENP-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.48
Rot. Bonds6

About 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide

3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (PubChem CID 70742540) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
PubChem CID70742540
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C21H20FN5O/c1-26(13-15-12-23-27(14-15)17-5-3-2-4-6-17)21(28)10-9-20-24-18-8-7-16(22)11-19(18)25-20/h2-8,11-12,14H,9-10,13H2,1H3,(H,24,25)
InChIKeyUDIJRQKJSCDENP-UHFFFAOYSA-N
XLogP3.48
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24515240
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 137294411
3-(3,4-dimethoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8950697
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961762
7-fluoro-N,2,3-trimethyl-N-[(1-phenylpyrazol-4-yl)methyl]quinoxaline-5-carboxamide
CID 55823560
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 17422564
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 25487197
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 8962000
N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 31960924

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide (CID 70742540) is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)CCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
The InChIKey is UDIJRQKJSCDENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-26(13-15-12-23-27(14-15)17-5-3-2-4-6-17)21(28)10-9-20-24-18-8-7-16(22)11-19(18)25-20/h2-8,11-12,14H,9-10,13H2,1H3,(H,24,25).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide?
3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide has a molecular weight of 377.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 70742540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).