2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide

C16H18N6O2 — CID 49495515

IUPAC2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C16H18N6O2/c1-2-14-21-12-5-3-4-6-13(12)22(14)10-16(24)17-9-15(23)20-11-7-18-19-8-11/h3-8H,2,9-10H2,1H3,(H,17,24)(H,18,19)(H,20,23)
InChIKeyVKFLNRAIKNQTTO-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.08
Rot. Bonds6

About 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide

2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 49495515) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide
PubChem CID49495515
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C16H18N6O2/c1-2-14-21-12-5-3-4-6-13(12)22(14)10-16(24)17-9-15(23)20-11-7-18-19-8-11/h3-8H,2,9-10H2,1H3,(H,17,24)(H,18,19)(H,20,23)
InChIKeyVKFLNRAIKNQTTO-UHFFFAOYSA-N
XLogP1.08
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-[6-(diethylamino)-3-pyridinyl]-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 55784403
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55799713
2-(2-ethylbenzimidazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 46674253
2-(2-ethylbenzimidazol-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 27335104
1-(3,5-dimethylphenyl)-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]thiourea
CID 40696855
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
2-(2-ethylbenzimidazol-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 115572979
N-ethyl-3-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-4-methylbenzamide
CID 55782666
2-(2-ethylbenzimidazol-1-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 17417716

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide (CID 49495515) is 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide is CCc1nc2ccccc2n1CC(=O)NCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is VKFLNRAIKNQTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-2-14-21-12-5-3-4-6-13(12)22(14)10-16(24)17-9-15(23)20-11-7-18-19-8-11/h3-8H,2,9-10H2,1H3,(H,17,24)(H,18,19)(H,20,23).
What are the key properties of 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide?
2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 49495515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).