N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide

C20H14N4O3S — CID 134110139

IUPACN-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide
SMILESO=C(N/C(=C/c1cccs1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1
InChIInChI=1S/C20H14N4O3S/c25-20(13-5-2-1-3-6-13)23-18(12-15-7-4-10-28-15)19-21-16-9-8-14(24(26)27)11-17(16)22-19/h1-12H,(H,21,22)(H,23,25)/b18-12+
InChIKeyRRVDWSPWAOPJQE-LDADJPATSA-N
MW390.42 g/mol
LogP4.46
Rot. Bonds5

About N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide

N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide (PubChem CID 134110139) has the molecular formula C20H14N4O3S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide
PubChem CID134110139
Molecular FormulaC20H14N4O3S
Molecular Weight390.42 g/mol
Exact Mass390.08
IUPAC NameN-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide
SMILESO=C(N/C(=C/c1cccs1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1
InChIInChI=1S/C20H14N4O3S/c25-20(13-5-2-1-3-6-13)23-18(12-15-7-4-10-28-15)19-21-16-9-8-14(24(26)27)11-17(16)22-19/h1-12H,(H,21,22)(H,23,25)/b18-12+
InChIKeyRRVDWSPWAOPJQE-LDADJPATSA-N
XLogP4.46
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(4-nitrophenyl)ethenyl]benzamide
CID 5387521
4-nitro-N-[(6-nitro-1H-benzimidazol-2-yl)-phenylmethyl]benzamide
CID 43890144
N-[(Z)-1-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)ethenyl]benzamide
CID 5388012
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783
N-[3-[2-[3-(4-nitrophenyl)prop-2-enylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 4031329
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
CID 5334230
N-[1-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)ethenyl]thiophene-2-carboxamide
CID 2883257
N-[(Z)-3-[3-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 19312915
2-[(Z)-1-benzamido-2-(3,4,5-trimethoxyphenyl)ethenyl]-N-hydroxy-3H-benzimidazol-5-amine oxide
CID 20831265
N-[(Z)-3-[4-[2-(4-nitroanilino)-2-oxoethyl]sulfanylanilino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 22189437
6-nitro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]-1H-benzimidazole-2-carboxamide
CID 118900386
6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
CID 92970296

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide?
The IUPAC name of N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide (CID 134110139) is N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide.
What is the SMILES notation for N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide?
The canonical SMILES for N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide is O=C(N/C(=C/c1cccs1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1.
What is the InChIKey of N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide?
The InChIKey is RRVDWSPWAOPJQE-LDADJPATSA-N. The full InChI is InChI=1S/C20H14N4O3S/c25-20(13-5-2-1-3-6-13)23-18(12-15-7-4-10-28-15)19-21-16-9-8-14(24(26)27)11-17(16)22-19/h1-12H,(H,21,22)(H,23,25)/b18-12+.
What are the key properties of N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide?
N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide has a molecular weight of 390.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-nitro-1H-benzimidazol-2-yl)-2-thiophen-2-ylethenyl]benzamide is sourced from PubChem (CID 134110139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).