N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine

C15H15BrClN3S — CID 102831213

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
SMILESCc1nc2ccccc2n1CCNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C15H15BrClN3S/c1-10-19-13-4-2-3-5-14(13)20(10)7-6-18-9-11-8-12(16)15(17)21-11/h2-5,8,18H,6-7,9H2,1H3
InChIKeyCDWYTWSVVCWKPZ-UHFFFAOYSA-N
MW384.73 g/mol
LogP4.61
Rot. Bonds5

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine (PubChem CID 102831213) has the molecular formula C15H15BrClN3S and a molecular weight of 384.73 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
PubChem CID102831213
Molecular FormulaC15H15BrClN3S
Molecular Weight384.73 g/mol
Exact Mass382.99
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
SMILESCc1nc2ccccc2n1CCNCc1cc(Br)c(Cl)s1
InChIInChI=1S/C15H15BrClN3S/c1-10-19-13-4-2-3-5-14(13)20(10)7-6-18-9-11-8-12(16)15(17)21-11/h2-5,8,18H,6-7,9H2,1H3
InChIKeyCDWYTWSVVCWKPZ-UHFFFAOYSA-N
XLogP4.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.73
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine 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

N-[(5-ethylthiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine
CID 62345537
2-(2-methylbenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28712943
2-(2-methylbenzimidazol-1-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66410022
2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62749627
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
1,3-dimethyl-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 119126551
2-methoxy-5-[[2-(2-methylbenzimidazol-1-yl)ethylamino]methyl]phenol
CID 51073480
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111898766
1-(3-bromophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]thiourea
CID 9237587
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenothiazin-10-ylpropan-1-amine
CID 3046316
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine
CID 47151419
1-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]quinoxalin-2-one
CID 62563348

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine (CID 102831213) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine is Cc1nc2ccccc2n1CCNCc1cc(Br)c(Cl)s1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine?
The InChIKey is CDWYTWSVVCWKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3S/c1-10-19-13-4-2-3-5-14(13)20(10)7-6-18-9-11-8-12(16)15(17)21-11/h2-5,8,18H,6-7,9H2,1H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine has a molecular weight of 384.73 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(2-methylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 102831213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).