(E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide

C21H15FN4O — CID 55729057

IUPAC(E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C21H15FN4O/c22-16-6-4-15(5-7-16)21-25-18-9-8-17(12-19(18)26-21)24-20(27)10-3-14-2-1-11-23-13-14/h1-13H,(H,24,27)(H,25,26)/b10-3+
InChIKeyFWJZLWOWNCHZQC-XCVCLJGOSA-N
MW358.38 g/mol
LogP4.42
Rot. Bonds4

About (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 55729057) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide
PubChem CID55729057
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name(E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C21H15FN4O/c22-16-6-4-15(5-7-16)21-25-18-9-8-17(12-19(18)26-21)24-20(27)10-3-14-2-1-11-23-13-14/h1-13H,(H,24,27)(H,25,26)/b10-3+
InChIKeyFWJZLWOWNCHZQC-XCVCLJGOSA-N
XLogP4.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[4-[6-[3-(furan-2-yl)prop-2-enoylamino]-1H-benzimidazol-2-yl]phenyl]prop-2-enamide
CID 3761035
(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494098
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148193
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
N-[4-[6-[(2,6-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]pyridine-3-carboxamide
CID 20694978
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
2-hydroxy-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43358291
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 51092375

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide (CID 55729057) is (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is FWJZLWOWNCHZQC-XCVCLJGOSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-16-6-4-15(5-7-16)21-25-18-9-8-17(12-19(18)26-21)24-20(27)10-3-14-2-1-11-23-13-14/h1-13H,(H,24,27)(H,25,26)/b10-3+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 358.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 55729057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).