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

C18H16ClN5 — CID 135847967

IUPACN-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc(-c2[nH]c3ccccc3c2/C=N/NC2=NCCN2)cc1
InChIInChI=1S/C18H16ClN5/c19-13-7-5-12(6-8-13)17-15(11-22-24-18-20-9-10-21-18)14-3-1-2-4-16(14)23-17/h1-8,11,23H,9-10H2,(H2,20,21,24)/b22-11+
InChIKeyRQSHROPURRKMOF-SSDVNMTOSA-N
MW337.81 g/mol
LogP3.37
Rot. Bonds3

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

N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 135847967) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID135847967
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC NameN-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc(-c2[nH]c3ccccc3c2/C=N/NC2=NCCN2)cc1
InChIInChI=1S/C18H16ClN5/c19-13-7-5-12(6-8-13)17-15(11-22-24-18-20-9-10-21-18)14-3-1-2-4-16(14)23-17/h1-8,11,23H,9-10H2,(H2,20,21,24)/b22-11+
InChIKeyRQSHROPURRKMOF-SSDVNMTOSA-N
XLogP3.37
TPSA64.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.37
H-Bond Donors ≤ 53
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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Related Compounds

{2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-ethyl}-ethyl-methyl-amine
CID 44324056
1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 201180
3-{4-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-butyl}-1H-indole
CID 10386308
2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(5-cyano-1H-indol-3-yl)methylideneamino]guanidine
CID 166627058
2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(5-cyano-7-methyl-1H-indol-3-yl)methylideneamino]guanidine
CID 166628022
2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(7-methyl-1H-indol-3-yl)methylideneamino]guanidine
CID 166628901
2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(5-nitro-1H-indol-3-yl)methylideneamino]guanidine
CID 166632509
3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-phenyl-1H-indole
CID 10039075
N-[(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]aniline
CID 70690978
9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(p-chlorophenyl)-, hydrochloride
CID 201179
6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,3,4,9-tetrahydro-1H-carbazole
CID 56682303
2-[(1-Tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 102124668

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 135847967) is N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is Clc1ccc(-c2[nH]c3ccccc3c2/C=N/NC2=NCCN2)cc1.
What is the InChIKey of N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is RQSHROPURRKMOF-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H16ClN5/c19-13-7-5-12(6-8-13)17-15(11-22-24-18-20-9-10-21-18)14-3-1-2-4-16(14)23-17/h1-8,11,23H,9-10H2,(H2,20,21,24)/b22-11+.
What are the key properties of N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 337.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 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]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 135847967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).