3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

C21H20ClN5O — CID 46976290

IUPAC3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCn1c(CCC(=O)Nc2cccc(Cn3cccn3)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C21H20ClN5O/c1-26-19-7-6-16(22)13-18(19)25-20(26)8-9-21(28)24-17-5-2-4-15(12-17)14-27-11-3-10-23-27/h2-7,10-13H,8-9,14H2,1H3,(H,24,28)
InChIKeyOQRQTRVYFPVZST-UHFFFAOYSA-N
MW393.88 g/mol
LogP4.04
Rot. Bonds6

About 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 46976290) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID46976290
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCn1c(CCC(=O)Nc2cccc(Cn3cccn3)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C21H20ClN5O/c1-26-19-7-6-16(22)13-18(19)25-20(26)8-9-21(28)24-17-5-2-4-15(12-17)14-27-11-3-10-23-27/h2-7,10-13H,8-9,14H2,1H3,(H,24,28)
InChIKeyOQRQTRVYFPVZST-UHFFFAOYSA-N
XLogP4.04
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 54.04
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-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39673621
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39190233
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 46263440
3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55610931
4-(2,5-dimethylthiophen-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 126421257

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 46976290) is 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is Cn1c(CCC(=O)Nc2cccc(Cn3cccn3)c2)nc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is OQRQTRVYFPVZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c1-26-19-7-6-16(22)13-18(19)25-20(26)8-9-21(28)24-17-5-2-4-15(12-17)14-27-11-3-10-23-27/h2-7,10-13H,8-9,14H2,1H3,(H,24,28).
What are the key properties of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 393.88 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 46976290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).