CID 144634079

C14H18BrN3S2 — CID 144634079

IUPAC—
SMILESBrc1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1.SS
InChIInChI=1S/C14H16BrN3.H2S2/c15-11-6-4-10(5-7-11)13-9-17-14(18-13)12-3-1-2-8-16-12;1-2/h4-7,9,12,16H,1-3,8H2,(H,17,18);1-2H
InChIKeyBPUSNHYDCMRVQQ-UHFFFAOYSA-N
MW372.36 g/mol
LogP4.41
Rot. Bonds2

About CID 144634079

CID 144634079 (PubChem CID 144634079) has the molecular formula C14H18BrN3S2 and a molecular weight of 372.36 g/mol.

Molecular Properties

Compound NameCID 144634079
PubChem CID144634079
Molecular FormulaC14H18BrN3S2
Molecular Weight372.36 g/mol
Exact Mass371.01
IUPAC Name—
SMILESBrc1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1.SS
InChIInChI=1S/C14H16BrN3.H2S2/c15-11-6-4-10(5-7-11)13-9-17-14(18-13)12-3-1-2-8-16-12;1-2/h4-7,9,12,16H,1-3,8H2,(H,17,18);1-2H
InChIKeyBPUSNHYDCMRVQQ-UHFFFAOYSA-N
XLogP4.41
TPSA40.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze CID 144634079 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

2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 124681351
5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 150236542
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
2-[5-(4-propoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651080
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-methylpiperidine
CID 131735785
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine
CID 51884033
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691

Frequently Asked Questions

What is the IUPAC name of CID 144634079?
The IUPAC name of CID 144634079 (CID 144634079) is not available.
What is the SMILES notation for CID 144634079?
The canonical SMILES for CID 144634079 is Brc1ccc(-c2cnc(C3CCCCN3)[nH]2)cc1.SS.
What is the InChIKey of CID 144634079?
The InChIKey is BPUSNHYDCMRVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3.H2S2/c15-11-6-4-10(5-7-11)13-9-17-14(18-13)12-3-1-2-8-16-12;1-2/h4-7,9,12,16H,1-3,8H2,(H,17,18);1-2H.
What are the key properties of CID 144634079?
CID 144634079 has a molecular weight of 372.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144634079 is sourced from PubChem (CID 144634079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).