2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine

C18H18BrN5 — CID 24885019

IUPAC2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine
SMILESCc1ccc(-c2[nH]c3ccc(Br)cc3c2C/C=N/N=C(N)N)cc1
InChIInChI=1S/C18H18BrN5/c1-11-2-4-12(5-3-11)17-14(8-9-22-24-18(20)21)15-10-13(19)6-7-16(15)23-17/h2-7,9-10,23H,8H2,1H3,(H4,20,21,24)/b22-9+
InChIKeyXONZSMURFXYZQB-LSFURLLWSA-N
MW384.28 g/mol
LogP3.71
Rot. Bonds4

About 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine

2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine (PubChem CID 24885019) has the molecular formula C18H18BrN5 and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine
PubChem CID24885019
Molecular FormulaC18H18BrN5
Molecular Weight384.28 g/mol
Exact Mass383.07
IUPAC Name2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine
SMILESCc1ccc(-c2[nH]c3ccc(Br)cc3c2C/C=N/N=C(N)N)cc1
InChIInChI=1S/C18H18BrN5/c1-11-2-4-12(5-3-11)17-14(8-9-22-24-18(20)21)15-10-13(19)6-7-16(15)23-17/h2-7,9-10,23H,8H2,1H3,(H4,20,21,24)/b22-9+
InChIKeyXONZSMURFXYZQB-LSFURLLWSA-N
XLogP3.71
TPSA92.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine
CID 168592786
5-bromo-3-pentyl-2-phenyl-1H-indole
CID 68813934
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4033296
2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine
CID 135460270
4-[5-bromo-2-(3,4-dichlorophenyl)-1H-indol-3-yl]butan-1-amine
CID 4039818
2-[2-(1,3-benzodioxol-5-yl)-5-bromo-1H-indol-3-yl]acetic acid
CID 5126249
4-[2-(4-bromophenyl)-5-iodo-1H-indol-3-yl]butan-1-amine
CID 4021265
16-bromo-5-methyl-10-(4-methylphenyl)-2-(nitromethyl)-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3(8),4,6,9,13(18),14,16-octaene
CID 102527474
(5-bromo-2-ethyl-1H-indol-3-yl)methanamine
CID 83678398
2-[2-(4-bromophenyl)-5-butan-2-yl-1H-indol-3-yl]acetic acid
CID 3426446
3-[2-(4-bromophenyl)-5-methoxy-1H-indol-3-yl]propanoic acid
CID 165440970
4-(5-bromo-2-methyl-1H-indol-3-yl)butan-2-amine
CID 82502209

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine (CID 24885019) is 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine is Cc1ccc(-c2[nH]c3ccc(Br)cc3c2C/C=N/N=C(N)N)cc1.
What is the InChIKey of 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine?
The InChIKey is XONZSMURFXYZQB-LSFURLLWSA-N. The full InChI is InChI=1S/C18H18BrN5/c1-11-2-4-12(5-3-11)17-14(8-9-22-24-18(20)21)15-10-13(19)6-7-16(15)23-17/h2-7,9-10,23H,8H2,1H3,(H4,20,21,24)/b22-9+.
What are the key properties of 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine?
2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine has a molecular weight of 384.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine is sourced from PubChem (CID 24885019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).