N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide

C29H26N4O2S — CID 4732105

IUPACN'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
SMILESCCCn1c(-c2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)s2)nc2ccccc21
InChIInChI=1S/C29H26N4O2S/c1-2-19-33-23-16-10-9-15-22(23)30-27(33)24-17-18-25(36-24)28(34)31-32-29(35)26(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18,26H,2,19H2,1H3,(H,31,34)(H,32,35)
InChIKeyNITSXESPRKGYPX-UHFFFAOYSA-N
MW494.62 g/mol
LogP5.77
Rot. Bonds7

About N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide

N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide (PubChem CID 4732105) has the molecular formula C29H26N4O2S and a molecular weight of 494.62 g/mol. Its IUPAC name is N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
PubChem CID4732105
Molecular FormulaC29H26N4O2S
Molecular Weight494.62 g/mol
Exact Mass494.18
IUPAC NameN'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
SMILESCCCn1c(-c2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)s2)nc2ccccc21
InChIInChI=1S/C29H26N4O2S/c1-2-19-33-23-16-10-9-15-22(23)30-27(33)24-17-18-25(36-24)28(34)31-32-29(35)26(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18,26H,2,19H2,1H3,(H,31,34)(H,32,35)
InChIKeyNITSXESPRKGYPX-UHFFFAOYSA-N
XLogP5.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732064
N'-(4-methylphenyl)sulfonyl-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide
CID 4732104
N-(5-chloro-2-pyridinyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732047
N-(5-chloro-2-methylphenyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4732004
5-(1-ethylbenzimidazol-2-yl)-N',N'-diphenylthiophene-2-carbohydrazide
CID 4731905
[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4732078
5-(1-ethylbenzimidazol-2-yl)-N'-(2-nitrobenzoyl)thiophene-2-carbohydrazide
CID 4731945
5-(1-methylbenzimidazol-2-yl)-N-propan-2-ylthiophene-2-carboxamide
CID 4731737
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
N-cyclohexyl-5-(1-ethylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731876
5-(1-ethylbenzimidazol-2-yl)-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 4224270
5-(1-ethylbenzimidazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 4731849

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide (CID 4732105) is N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide is CCCn1c(-c2ccc(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)s2)nc2ccccc21.
What is the InChIKey of N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide?
The InChIKey is NITSXESPRKGYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2S/c1-2-19-33-23-16-10-9-15-22(23)30-27(33)24-17-18-25(36-24)28(34)31-32-29(35)26(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-18,26H,2,19H2,1H3,(H,31,34)(H,32,35).
What are the key properties of N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide?
N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide has a molecular weight of 494.62 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-diphenylacetyl)-5-(1-propylbenzimidazol-2-yl)thiophene-2-carbohydrazide is sourced from PubChem (CID 4732105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).