3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

C26H23N5O — CID 55632468

IUPAC3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C26H23N5O/c32-26(28-21-9-6-8-20(18-21)19-30-17-7-16-27-30)15-14-25-29-23-12-4-5-13-24(23)31(25)22-10-2-1-3-11-22/h1-13,16-18H,14-15,19H2,(H,28,32)
InChIKeyWAMNPBLJZBJMOD-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.84
Rot. Bonds7

About 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 55632468) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID55632468
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C26H23N5O/c32-26(28-21-9-6-8-20(18-21)19-30-17-7-16-27-30)15-14-25-29-23-12-4-5-13-24(23)31(25)22-10-2-1-3-11-22/h1-13,16-18H,14-15,19H2,(H,28,32)
InChIKeyWAMNPBLJZBJMOD-UHFFFAOYSA-N
XLogP4.84
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39673621
3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55610931
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46976290
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 60508285
N-[3-[[3-(1-phenylbenzimidazol-2-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55632069
1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382241
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 38714091
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 55632468) is 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCc1nc2ccccc2n1-c1ccccc1)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is WAMNPBLJZBJMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c32-26(28-21-9-6-8-20(18-21)19-30-17-7-16-27-30)15-14-25-29-23-12-4-5-13-24(23)31(25)22-10-2-1-3-11-22/h1-13,16-18H,14-15,19H2,(H,28,32).
What are the key properties of 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 55632468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).