3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide

C21H21N5O — CID 157017533

IUPAC3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)Nc1c(-c2ccccc2)cnn1C
InChIInChI=1S/C21H21N5O/c1-15-23-18-10-6-7-11-19(18)26(15)13-12-20(27)24-21-17(14-22-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,24,27)
InChIKeyYTZNNLSMRJOSKT-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.77
Rot. Bonds5

About 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide

3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide (PubChem CID 157017533) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide
PubChem CID157017533
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide
SMILESCc1nc2ccccc2n1CCC(=O)Nc1c(-c2ccccc2)cnn1C
InChIInChI=1S/C21H21N5O/c1-15-23-18-10-6-7-11-19(18)26(15)13-12-20(27)24-21-17(14-22-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,24,27)
InChIKeyYTZNNLSMRJOSKT-UHFFFAOYSA-N
XLogP3.77
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide
CID 134706215
2-(2-methyl-1H-indol-3-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)acetamide
CID 155909077
3-(2-methylbenzimidazol-1-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
CID 155910541
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
CID 66337324
ethyl 5-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738829
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-phenylphenyl)phenyl]butanamide
CID 167956083
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716703
N-[(E)-(4-fluoronaphthalen-1-yl)methylideneamino]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 73346310

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide (CID 157017533) is 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide is Cc1nc2ccccc2n1CCC(=O)Nc1c(-c2ccccc2)cnn1C.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide?
The InChIKey is YTZNNLSMRJOSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-23-18-10-6-7-11-19(18)26(15)13-12-20(27)24-21-17(14-22-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,24,27).
What are the key properties of 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide?
3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide has a molecular weight of 359.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide is sourced from PubChem (CID 157017533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).