N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide

C22H18N4O3 — CID 9020852

IUPACN'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)/C=C/c2ccc(-n3ccnc3)cc2)oc2ccccc12
InChIInChI=1S/C22H18N4O3/c1-15-18-4-2-3-5-19(18)29-21(15)22(28)25-24-20(27)11-8-16-6-9-17(10-7-16)26-13-12-23-14-26/h2-14H,1H3,(H,24,27)(H,25,28)/b11-8+
InChIKeyKMRPKNXXGKFBNI-DHZHZOJOSA-N
MW386.41 g/mol
LogP3.40
Rot. Bonds4

About N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 9020852) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID9020852
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)/C=C/c2ccc(-n3ccnc3)cc2)oc2ccccc12
InChIInChI=1S/C22H18N4O3/c1-15-18-4-2-3-5-19(18)29-21(15)22(28)25-24-20(27)11-8-16-6-9-17(10-7-16)26-13-12-23-14-26/h2-14H,1H3,(H,24,27)(H,25,28)/b11-8+
InChIKeyKMRPKNXXGKFBNI-DHZHZOJOSA-N
XLogP3.40
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide 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'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9297287
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
N-[4-[(E)-3-(3-methyl-1-benzofuran-2-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 34046952
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011
(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92675033
(E)-3-(4-hydroxyphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 172994200
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
5-bromo-N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-3-carbohydrazide
CID 17418605
N'-(3-iodobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685439
(E)-3-(4-imidazol-1-ylphenyl)-N-[3-(2-phenylethoxy)propyl]prop-2-enamide
CID 154858203
(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
CID 41200443

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 9020852) is N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)/C=C/c2ccc(-n3ccnc3)cc2)oc2ccccc12.
What is the InChIKey of N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is KMRPKNXXGKFBNI-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-15-18-4-2-3-5-19(18)29-21(15)22(28)25-24-20(27)11-8-16-6-9-17(10-7-16)26-13-12-23-14-26/h2-14H,1H3,(H,24,27)(H,25,28)/b11-8+.
What are the key properties of N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 386.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-imidazol-1-ylphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9020852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).