(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide

C17H17N3OS — CID 8914471

IUPAC(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCCCn1c(NC(=O)/C=C/c2cccs2)nc2ccccc21
InChIInChI=1S/C17H17N3OS/c1-2-11-20-15-8-4-3-7-14(15)18-17(20)19-16(21)10-9-13-6-5-12-22-13/h3-10,12H,2,11H2,1H3,(H,18,19,21)/b10-9+
InChIKeySJWPHQODHCBUGA-MDZDMXLPSA-N
MW311.41 g/mol
LogP4.16
Rot. Bonds5

About (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 8914471) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide
PubChem CID8914471
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide
SMILESCCCn1c(NC(=O)/C=C/c2cccs2)nc2ccccc21
InChIInChI=1S/C17H17N3OS/c1-2-11-20-15-8-4-3-7-14(15)18-17(20)19-16(21)10-9-13-6-5-12-22-13/h3-10,12H,2,11H2,1H3,(H,18,19,21)/b10-9+
InChIKeySJWPHQODHCBUGA-MDZDMXLPSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
CID 38011370
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide
CID 17491078
(3S)-3-acetamido-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylpropanamide
CID 25325085
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
(E)-1-(2-ethylsulfanylbenzimidazol-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 5347473
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
(E)-N-quinoxalin-2-yl-3-thiophen-2-ylprop-2-enamide
CID 25061370
2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide (CID 8914471) is (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide is CCCn1c(NC(=O)/C=C/c2cccs2)nc2ccccc21.
What is the InChIKey of (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is SJWPHQODHCBUGA-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-2-11-20-15-8-4-3-7-14(15)18-17(20)19-16(21)10-9-13-6-5-12-22-13/h3-10,12H,2,11H2,1H3,(H,18,19,21)/b10-9+.
What are the key properties of (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 311.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-propylbenzimidazol-2-yl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 8914471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).