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

C19H18ClN5 — CID 135847970

IUPACN-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(/N=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12)C1=NCCN1
InChIInChI=1S/C19H18ClN5/c1-25(19-21-10-11-22-19)23-12-16-15-4-2-3-5-17(15)24-18(16)13-6-8-14(20)9-7-13/h2-9,12,24H,10-11H2,1H3,(H,21,22)/b23-12+
InChIKeyQDTDBXWWFGVDJI-FSJBWODESA-N
MW351.84 g/mol
LogP3.71
Rot. Bonds3

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

N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 135847970) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID135847970
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC NameN-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(/N=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12)C1=NCCN1
InChIInChI=1S/C19H18ClN5/c1-25(19-21-10-11-22-19)23-12-16-15-4-2-3-5-17(15)24-18(16)13-6-8-14(20)9-7-13/h2-9,12,24H,10-11H2,1H3,(H,21,22)/b23-12+
InChIKeyQDTDBXWWFGVDJI-FSJBWODESA-N
XLogP3.71
TPSA55.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.71
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'}

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

(NZ)-N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methylidene]hydroxylamine
CID 136702122
N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine
CID 139216022
N-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 6519025
(2Z)-2-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135778125
(E)-N-[4-[2-(4-chlorophenyl)-1H-indol-3-yl]-1,3-oxazol-2-yl]-1-(2-phenyl-1H-indol-3-yl)methanimine
CID 135951794
1-[2-(4-chlorophenyl)-1H-indol-3-yl]-N-[2-(1H-indol-2-yl)phenyl]methanimine
CID 137206000
1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11242982
1-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-3-(2-methoxyphenyl)thiourea
CID 135713209
2-fluoro-N-[(E)-[2-(4-fluorophenyl)-1H-indol-3-yl]methylideneamino]aniline
CID 137226357
3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol;hydroiodide
CID 3060029
4-[3-[(Z)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]-1H-indol-2-yl]benzonitrile
CID 11385227
2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1H-indole
CID 71517931

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 135847970) is N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine is CN(/N=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12)C1=NCCN1.
What is the InChIKey of N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QDTDBXWWFGVDJI-FSJBWODESA-N. The full InChI is InChI=1S/C19H18ClN5/c1-25(19-21-10-11-22-19)23-12-16-15-4-2-3-5-17(15)24-18(16)13-6-8-14(20)9-7-13/h2-9,12,24H,10-11H2,1H3,(H,21,22)/b23-12+.
What are the key properties of N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 351.84 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-N-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 135847970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).