N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

C20H17N5O2 — CID 25390522

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N5O2/c1-13-18(14(12-21)20(27-13)25-10-4-5-11-25)19(26)22-9-8-17-23-15-6-2-3-7-16(15)24-17/h2-7,10-11H,8-9H2,1H3,(H,22,26)(H,23,24)
InChIKeyJVSQXVQGFWIWIT-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 25390522) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID25390522
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N5O2/c1-13-18(14(12-21)20(27-13)25-10-4-5-11-25)19(26)22-9-8-17-23-15-6-2-3-7-16(15)24-17/h2-7,10-11H,8-9H2,1H3,(H,22,26)(H,23,24)
InChIKeyJVSQXVQGFWIWIT-UHFFFAOYSA-N
XLogP3.10
TPSA99.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 32914668
4-cyano-N-(2-hydroxy-2,3-dimethylpentyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111477897
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 25404880
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 25390522) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is JVSQXVQGFWIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-18(14(12-21)20(27-13)25-10-4-5-11-25)19(26)22-9-8-17-23-15-6-2-3-7-16(15)24-17/h2-7,10-11H,8-9H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 25390522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).