N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide

C22H22N6O2 — CID 46468409

IUPACN-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1)n1cccn1
InChIInChI=1S/C22H22N6O2/c1-15(28-13-5-12-23-28)22(30)25-17-7-4-6-16(14-17)24-21(29)11-10-20-26-18-8-2-3-9-19(18)27-20/h2-9,12-15H,10-11H2,1H3,(H,24,29)(H,25,30)(H,26,27)
InChIKeyHRLXKROLIXLJPK-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.53
Rot. Bonds7

About N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide

N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 46468409) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID46468409
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1)n1cccn1
InChIInChI=1S/C22H22N6O2/c1-15(28-13-5-12-23-28)22(30)25-17-7-4-6-16(14-17)24-21(29)11-10-20-26-18-8-2-3-9-19(18)27-20/h2-9,12-15H,10-11H2,1H3,(H,24,29)(H,25,30)(H,26,27)
InChIKeyHRLXKROLIXLJPK-UHFFFAOYSA-N
XLogP3.53
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 42958667
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-N,N-diethylbenzamide
CID 35955630
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
ethyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]benzoate
CID 34202274
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide
CID 94026684
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
CID 31409989
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide (CID 46468409) is N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cccc(NC(=O)CCc2nc3ccccc3[nH]2)c1)n1cccn1.
What is the InChIKey of N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is HRLXKROLIXLJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-15(28-13-5-12-23-28)22(30)25-17-7-4-6-16(14-17)24-21(29)11-10-20-26-18-8-2-3-9-19(18)27-20/h2-9,12-15H,10-11H2,1H3,(H,24,29)(H,25,30)(H,26,27).
What are the key properties of N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 402.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 46468409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).