N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine

C19H17ClFN5 — CID 135847959

IUPACN-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(/N=C/c1c(-c2ccc(F)c(Cl)c2)[nH]c2ccccc12)C1=NCCN1
InChIInChI=1S/C19H17ClFN5/c1-26(19-22-8-9-23-19)24-11-14-13-4-2-3-5-17(13)25-18(14)12-6-7-16(21)15(20)10-12/h2-7,10-11,25H,8-9H2,1H3,(H,22,23)/b24-11+
InChIKeyPLMZMCUFMXRWJV-BHGWPJFGSA-N
MW369.83 g/mol
LogP3.85
Rot. Bonds3

About N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 135847959) has the molecular formula C19H17ClFN5 and a molecular weight of 369.83 g/mol. Its IUPAC name is N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID135847959
Molecular FormulaC19H17ClFN5
Molecular Weight369.83 g/mol
Exact Mass369.12
IUPAC NameN-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(/N=C/c1c(-c2ccc(F)c(Cl)c2)[nH]c2ccccc12)C1=NCCN1
InChIInChI=1S/C19H17ClFN5/c1-26(19-22-8-9-23-19)24-11-14-13-4-2-3-5-17(13)25-18(14)12-6-7-16(21)15(20)10-12/h2-7,10-11,25H,8-9H2,1H3,(H,22,23)/b24-11+
InChIKeyPLMZMCUFMXRWJV-BHGWPJFGSA-N
XLogP3.85
TPSA55.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 135847959) is N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine is CN(/N=C/c1c(-c2ccc(F)c(Cl)c2)[nH]c2ccccc12)C1=NCCN1.
What is the InChIKey of N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is PLMZMCUFMXRWJV-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H17ClFN5/c1-26(19-22-8-9-23-19)24-11-14-13-4-2-3-5-17(13)25-18(14)12-6-7-16(21)15(20)10-12/h2-7,10-11,25H,8-9H2,1H3,(H,22,23)/b24-11+.
What are the key properties of N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 369.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(3-chloro-4-fluorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 135847959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).