[4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol

C24H19N5O3 — CID 177316522

IUPAC[4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol
SMILES[H]/N=C(/C=C\c1nc(-c2ccc(CO)cc2)c(-c2cccnc2[N+](=O)[O-])[nH]1)c1ccccc1
InChIInChI=1S/C24H19N5O3/c25-20(17-5-2-1-3-6-17)12-13-21-27-22(18-10-8-16(15-30)9-11-18)23(28-21)19-7-4-14-26-24(19)29(31)32/h1-14,25,30H,15H2,(H,27,28)/b13-12-,25-20-
InChIKeyAXPFKVZDYBTAIT-FMMDKACJSA-N
MW425.45 g/mol
LogP4.62
Rot. Bonds7

About [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol

[4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol (PubChem CID 177316522) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol
PubChem CID177316522
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC Name[4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol
SMILES[H]/N=C(/C=C\c1nc(-c2ccc(CO)cc2)c(-c2cccnc2[N+](=O)[O-])[nH]1)c1ccccc1
InChIInChI=1S/C24H19N5O3/c25-20(17-5-2-1-3-6-17)12-13-21-27-22(18-10-8-16(15-30)9-11-18)23(28-21)19-7-4-14-26-24(19)29(31)32/h1-14,25,30H,15H2,(H,27,28)/b13-12-,25-20-
InChIKeyAXPFKVZDYBTAIT-FMMDKACJSA-N
XLogP4.62
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[2-[(Z)-3-(5-fluoro-2-pyridinyl)-3-iminoprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol
CID 177316297
3-(2-nitro-3-pyridinyl)prop-2-enoic acid
CID 169460459
(2-nitro-3-pyridinyl)methanol
CID 22416434
3-[4-(3-nitro-2-pyridinyl)phenyl]propanoic acid
CID 70658634
2,4-bis(4-phenylphenyl)-6-[4-(3-phenyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 156692460
2-[(E)-2-(4-methoxyphenyl)ethenyl]-4,5-bis(4-nitrophenyl)-1H-imidazole
CID 102282217
N-benzyl-2-nitropyridine-3-carboxamide
CID 19034724
(Z)-1,4-diphenylbut-2-en-1-imine;ethane
CID 145272751
N-benzyl-N-methyl-2-nitropyridin-3-amine
CID 58577265
nitrobenzene;phenylmethanol
CID 160558550
5-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid
CID 141347626
(E)-3-[4-[4-[4-[(E)-2-carboxyethenyl]phenyl]-2-(3-methoxy-2-nitrophenyl)-1H-imidazol-5-yl]phenyl]prop-2-enoic acid
CID 59926015

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol?
The IUPAC name of [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol (CID 177316522) is [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol?
The canonical SMILES for [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol is [H]/N=C(/C=C\c1nc(-c2ccc(CO)cc2)c(-c2cccnc2[N+](=O)[O-])[nH]1)c1ccccc1.
What is the InChIKey of [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol?
The InChIKey is AXPFKVZDYBTAIT-FMMDKACJSA-N. The full InChI is InChI=1S/C24H19N5O3/c25-20(17-5-2-1-3-6-17)12-13-21-27-22(18-10-8-16(15-30)9-11-18)23(28-21)19-7-4-14-26-24(19)29(31)32/h1-14,25,30H,15H2,(H,27,28)/b13-12-,25-20-.
What are the key properties of [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol?
[4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol has a molecular weight of 425.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(Z)-3-imino-3-phenylprop-1-enyl]-5-(2-nitro-3-pyridinyl)-1H-imidazol-4-yl]phenyl]methanol is sourced from PubChem (CID 177316522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).