3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide

C22H23N5O — CID 134706215

IUPAC3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide
SMILESCc1nc2ccccc2n1CCC(=O)Nc1ccnn1C(C)c1ccccc1
InChIInChI=1S/C22H23N5O/c1-16(18-8-4-3-5-9-18)27-21(12-14-23-27)25-22(28)13-15-26-17(2)24-19-10-6-7-11-20(19)26/h3-12,14,16H,13,15H2,1-2H3,(H,25,28)
InChIKeyPMQBSWAVGJEMHN-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.18
Rot. Bonds6

About 3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide

3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide (PubChem CID 134706215) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide
PubChem CID134706215
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide
SMILESCc1nc2ccccc2n1CCC(=O)Nc1ccnn1C(C)c1ccccc1
InChIInChI=1S/C22H23N5O/c1-16(18-8-4-3-5-9-18)27-21(12-14-23-27)25-22(28)13-15-26-17(2)24-19-10-6-7-11-20(19)26/h3-12,14,16H,13,15H2,1-2H3,(H,25,28)
InChIKeyPMQBSWAVGJEMHN-UHFFFAOYSA-N
XLogP4.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide
CID 134703573
3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 91951375
3-(2-methylbenzimidazol-1-yl)-N-(1-methyl-4-phenylpyrazol-5-yl)propanamide
CID 157017533
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951592
3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-ol
CID 3689671
2-(2-methylsulfonylbenzimidazol-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30886599
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
hydrazinyl 3-(2-methylbenzimidazol-1-yl)propanoate
CID 66337324
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide (CID 134706215) is 3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide is Cc1nc2ccccc2n1CCC(=O)Nc1ccnn1C(C)c1ccccc1.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide?
The InChIKey is PMQBSWAVGJEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16(18-8-4-3-5-9-18)27-21(12-14-23-27)25-22(28)13-15-26-17(2)24-19-10-6-7-11-20(19)26/h3-12,14,16H,13,15H2,1-2H3,(H,25,28).
What are the key properties of 3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide?
3-(2-methylbenzimidazol-1-yl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide has a molecular weight of 373.46 g/mol, XLogP of 4.18, 6 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-[2-(1-phenylethyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 134706215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).