N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide

C21H21N5O — CID 60508285

IUPACN-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCCn1cc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cn1
InChIInChI=1S/C21H21N5O/c1-2-25-15-16(14-22-25)23-21(27)13-12-20-24-18-10-6-7-11-19(18)26(20)17-8-4-3-5-9-17/h3-11,14-15H,2,12-13H2,1H3,(H,23,27)
InChIKeyYTCQJLBKRLDYOI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.81
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide

N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide (PubChem CID 60508285) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
PubChem CID60508285
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide
SMILESCCn1cc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cn1
InChIInChI=1S/C21H21N5O/c1-2-25-15-16(14-22-25)23-21(27)13-12-20-24-18-10-6-7-11-19(18)26(20)17-8-4-3-5-9-17/h3-11,14-15H,2,12-13H2,1H3,(H,23,27)
InChIKeyYTCQJLBKRLDYOI-UHFFFAOYSA-N
XLogP3.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55632468
N-(2,5-dimethylphenyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 52894225
N-(3-hydroxypropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78796237
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
N-[2-(ethylamino)ethyl]-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119504582
3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 38714091
3-[3-(1-phenylbenzimidazol-2-yl)propanoylamino]butanoic acid
CID 119221124
N-(3-aminobutyl)-3-(1-phenylbenzimidazol-2-yl)propanamide;hydrochloride
CID 119494794
N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 40633314
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
N-(3-imidazol-1-ylpropyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 86975702
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide (CID 60508285) is N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide is CCn1cc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
The InChIKey is YTCQJLBKRLDYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-2-25-15-16(14-22-25)23-21(27)13-12-20-24-18-10-6-7-11-19(18)26(20)17-8-4-3-5-9-17/h3-11,14-15H,2,12-13H2,1H3,(H,23,27).
What are the key properties of N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide?
N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3-(1-phenylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 60508285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).