5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide

C26H21N5O4S — CID 91156914

IUPAC5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCc1ncc(-c2ccc(C(=O)Nc3nc4cc(NCC(=O)c5ccccc5)ccc4n3CC=O)s2)o1
InChIInChI=1S/C26H21N5O4S/c1-16-27-15-22(35-16)23-9-10-24(36-23)25(34)30-26-29-19-13-18(7-8-20(19)31(26)11-12-32)28-14-21(33)17-5-3-2-4-6-17/h2-10,12-13,15,28H,11,14H2,1H3,(H,29,30,34)
InChIKeySBNRNUHSRSLZPL-UHFFFAOYSA-N
MW499.55 g/mol
LogP4.81
Rot. Bonds9

About 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide

5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 91156914) has the molecular formula C26H21N5O4S and a molecular weight of 499.55 g/mol. Its IUPAC name is 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID91156914
Molecular FormulaC26H21N5O4S
Molecular Weight499.55 g/mol
Exact Mass499.13
IUPAC Name5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCc1ncc(-c2ccc(C(=O)Nc3nc4cc(NCC(=O)c5ccccc5)ccc4n3CC=O)s2)o1
InChIInChI=1S/C26H21N5O4S/c1-16-27-15-22(35-16)23-9-10-24(36-23)25(34)30-26-29-19-13-18(7-8-20(19)31(26)11-12-32)28-14-21(33)17-5-3-2-4-6-17/h2-10,12-13,15,28H,11,14H2,1H3,(H,29,30,34)
InChIKeySBNRNUHSRSLZPL-UHFFFAOYSA-N
XLogP4.81
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxy-2-methylpropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 91201943
N-[1-[2-(methylsulfonylmethylamino)ethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 91084715
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(3-methylphenyl)thiophene-2-carboxamide
CID 91131728
N-[1-(2-hydroxy-2-methylpropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 91174971
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(6-fluoro-3-pyridinyl)thiophene-2-carboxamide
CID 90731498
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]-5-(1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 91280683
N-[1-[(2S)-2-methoxy-2-phenylethyl]-5-(phenacylamino)benzimidazol-2-yl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 90819537
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide
CID 91611996
2-(2-fluoro-4-pyridinyl)-N-[1-(2-hydroxy-2-methylpropyl)-5-(phenacylamino)benzimidazol-2-yl]-1,3-thiazole-5-carboxamide
CID 91534865
N-[1-(3-hydroxy-3-methylbutyl)-5-[methyl-(2-morpholin-4-ylacetyl)amino]benzimidazol-2-yl]-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 143094225
N-[1-(3-amino-3-oxopropyl)-5-(phenacylamino)benzimidazol-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 91512119
N-[5-[benzoyl(methyl)amino]-1-[2-[(3S)-3,4-dihydropyridin-3-yl]ethyl]benzimidazol-2-yl]-5-(1,3-oxazol-5-yl)thiophene-2-carboxamide
CID 163921709

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide (CID 91156914) is 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide is Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(NCC(=O)c5ccccc5)ccc4n3CC=O)s2)o1.
What is the InChIKey of 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is SBNRNUHSRSLZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O4S/c1-16-27-15-22(35-16)23-9-10-24(36-23)25(34)30-26-29-19-13-18(7-8-20(19)31(26)11-12-32)28-14-21(33)17-5-3-2-4-6-17/h2-10,12-13,15,28H,11,14H2,1H3,(H,29,30,34).
What are the key properties of 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide?
5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 499.55 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-oxazol-5-yl)-N-[1-(2-oxoethyl)-5-(phenacylamino)benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91156914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).