(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide

C21H15N5O2 — CID 108843034

IUPAC(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc2nc[nH]c2c1)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C21H15N5O2/c22-10-13(11-23-14-7-8-18-19(9-14)25-12-24-18)21(28)26-17-5-1-4-16-15(17)3-2-6-20(16)27/h1-9,11-12,23,27H,(H,24,25)(H,26,28)/b13-11-
InChIKeyMINRIONUSUFFNK-QBFSEMIESA-N
MW369.38 g/mol
LogP3.88
Rot. Bonds4

About (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide

(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide (PubChem CID 108843034) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
PubChem CID108843034
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc2nc[nH]c2c1)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C21H15N5O2/c22-10-13(11-23-14-7-8-18-19(9-14)25-12-24-18)21(28)26-17-5-1-4-16-15(17)3-2-6-20(16)27/h1-9,11-12,23,27H,(H,24,25)(H,26,28)/b13-11-
InChIKeyMINRIONUSUFFNK-QBFSEMIESA-N
XLogP3.88
TPSA113.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide 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

(Z)-3-(3H-benzimidazol-5-ylamino)-N-(3-chloro-2-methylphenyl)-2-cyanoprop-2-enamide
CID 108823736
3-[[(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxoprop-1-enyl]amino]benzoic acid
CID 108842806
(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(2-ethyl-6-methylphenyl)prop-2-enamide
CID 108850863
(Z)-2-cyano-3-(3,5-dimethylanilino)-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843063
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108842954
(Z)-N-(4-amino-3-chlorophenyl)-3-(3H-benzimidazol-5-ylamino)-2-cyanoprop-2-enamide
CID 108859662
methyl (E)-3-(3H-benzimidazol-5-ylamino)-2-cyanoprop-2-enoate
CID 14245676
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(3-methoxyanilino)prop-2-enamide
CID 108842945
(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-propylprop-2-enamide
CID 108820379
2-[[(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyanoprop-2-enoyl]amino]-3-methylbutanoic acid
CID 108845641
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide
CID 108843121
2-[(3H-benzimidazol-5-ylamino)methylidene]propanedinitrile
CID 14245677

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide (CID 108843034) is (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide is N#C/C(=C/Nc1ccc2nc[nH]c2c1)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is MINRIONUSUFFNK-QBFSEMIESA-N. The full InChI is InChI=1S/C21H15N5O2/c22-10-13(11-23-14-7-8-18-19(9-14)25-12-24-18)21(28)26-17-5-1-4-16-15(17)3-2-6-20(16)27/h1-9,11-12,23,27H,(H,24,25)(H,26,28)/b13-11-.
What are the key properties of (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide?
(Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 369.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3H-benzimidazol-5-ylamino)-2-cyano-N-(5-hydroxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 108843034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).