3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol

C27H23N5O3 — CID 135815177

IUPAC3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol
SMILESCCC(c1cccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1)c1cnc[nH]1
InChIInChI=1S/C27H23N5O3/c1-2-21(24-15-28-16-29-24)18-9-6-10-19(13-18)30-26(17-7-4-3-5-8-17)25-22-14-20(32(34)35)11-12-23(22)31-27(25)33/h3-16,21,31,33H,2H2,1H3,(H,28,29)/b30-26+
InChIKeyOCPQQRLXXXPXNZ-URGPHPNLSA-N
MW465.51 g/mol
LogP6.22
Rot. Bonds7

About 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol

3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol (PubChem CID 135815177) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol
PubChem CID135815177
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC Name3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol
SMILESCCC(c1cccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1)c1cnc[nH]1
InChIInChI=1S/C27H23N5O3/c1-2-21(24-15-28-16-29-24)18-9-6-10-19(13-18)30-26(17-7-4-3-5-8-17)25-22-14-20(32(34)35)11-12-23(22)31-27(25)33/h3-16,21,31,33H,2H2,1H3,(H,28,29)/b30-26+
InChIKeyOCPQQRLXXXPXNZ-URGPHPNLSA-N
XLogP6.22
TPSA120.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol 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-[4-[[(2-hydroxy-5-nitro-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
CID 135622191
3-[N-[4-[2-[ethyl(2-hydroxyethyl)amino]ethyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol
CID 135622002
2-acetamido-N-[4-[[(2-hydroxy-5-nitro-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylacetamide
CID 135622141
3-[C-[4-(3-aminopropyl)phenyl]-N-[4-[2-(1H-imidazol-5-yl)ethenyl]phenyl]carbonimidoyl]-5-nitro-1H-indol-2-ol
CID 173286981
1-[2-[4-[[(2-hydroxy-5-nitro-1H-indol-3-yl)-phenylmethylidene]amino]phenyl]ethyl]-N,N-dimethylpiperidine-4-carboxamide
CID 135622163
3-[C-[4-(aminomethyl)phenyl]-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)carbonimidoyl]-5-nitro-1H-indol-2-ol
CID 135815208
1-[2-[4-[N-[4-(2-ethyl-1H-imidazol-5-yl)phenyl]-C-(2-hydroxy-5-nitro-1H-indol-3-yl)carbonimidoyl]phenyl]ethyl]pyrrolidin-2-one
CID 135815110
1-[[4-[C-(2-hydroxy-5-nitro-1H-indol-3-yl)-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]carbonimidoyl]phenyl]methyl]piperidin-2-one
CID 135815204
(2R)-2-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-phenylacetamide
CID 135617256
3-[N-(2-chloro-4-pyridinyl)-C-phenylcarbonimidoyl]-5-(1,3-thiazol-5-yl)-1H-indol-2-ol
CID 177186087
3-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-1H-indole-5-carboxamide
CID 135415859
N-[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 3838454

Frequently Asked Questions

What is the IUPAC name of 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol?
The IUPAC name of 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol (CID 135815177) is 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol.
What is the SMILES notation for 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol?
The canonical SMILES for 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol is CCC(c1cccc(/N=C(\c2ccccc2)c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)c1)c1cnc[nH]1.
What is the InChIKey of 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol?
The InChIKey is OCPQQRLXXXPXNZ-URGPHPNLSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-2-21(24-15-28-16-29-24)18-9-6-10-19(13-18)30-26(17-7-4-3-5-8-17)25-22-14-20(32(34)35)11-12-23(22)31-27(25)33/h3-16,21,31,33H,2H2,1H3,(H,28,29)/b30-26+.
What are the key properties of 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol?
3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol has a molecular weight of 465.51 g/mol, XLogP of 6.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[3-[1-(1H-imidazol-5-yl)propyl]phenyl]-C-phenylcarbonimidoyl]-5-nitro-1H-indol-2-ol is sourced from PubChem (CID 135815177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).