2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C21H21N5O — CID 39673621

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H21N5O/c1-2-20-24-18-9-3-4-10-19(18)26(20)15-21(27)23-17-8-5-7-16(13-17)14-25-12-6-11-22-25/h3-13H,2,14-15H2,1H3,(H,23,27)
InChIKeyXWRMRJVHWJQOGA-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.48
Rot. Bonds6

About 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 39673621) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID39673621
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H21N5O/c1-2-20-24-18-9-3-4-10-19(18)26(20)15-21(27)23-17-8-5-7-16(13-17)14-25-12-6-11-22-25/h3-13H,2,14-15H2,1H3,(H,23,27)
InChIKeyXWRMRJVHWJQOGA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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
2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 27335104
N-[3-(benzenesulfonamido)phenyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55705772
N-[3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39669326
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
(2S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366771
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 46976290
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 39673621) is 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is CCc1nc2ccccc2n1CC(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is XWRMRJVHWJQOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-2-20-24-18-9-3-4-10-19(18)26(20)15-21(27)23-17-8-5-7-16(13-17)14-25-12-6-11-22-25/h3-13H,2,14-15H2,1H3,(H,23,27).
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 39673621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).