N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide

C20H14ClN3O2 — CID 5341932

IUPACN-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccco1
InChIInChI=1S/C20H14ClN3O2/c21-14-9-7-13(8-10-14)12-17(24-20(25)18-6-3-11-26-18)19-22-15-4-1-2-5-16(15)23-19/h1-12H,(H,22,23)(H,24,25)/b17-12+
InChIKeyRLPWQRBWANQTMU-SFQUDFHCSA-N
MW363.80 g/mol
LogP4.74
Rot. Bonds4

About N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide

N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide (PubChem CID 5341932) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide
PubChem CID5341932
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC NameN-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide
SMILESO=C(N/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccco1
InChIInChI=1S/C20H14ClN3O2/c21-14-9-7-13(8-10-14)12-17(24-20(25)18-6-3-11-26-18)19-22-15-4-1-2-5-16(15)23-19/h1-12H,(H,22,23)(H,24,25)/b17-12+
InChIKeyRLPWQRBWANQTMU-SFQUDFHCSA-N
XLogP4.74
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide (CID 5341932) is N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide is O=C(N/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1ccco1.
What is the InChIKey of N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide?
The InChIKey is RLPWQRBWANQTMU-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-14-9-7-13(8-10-14)12-17(24-20(25)18-6-3-11-26-18)19-22-15-4-1-2-5-16(15)23-19/h1-12H,(H,22,23)(H,24,25)/b17-12+.
What are the key properties of N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide?
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide is sourced from PubChem (CID 5341932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).