N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

C14H16N4S — CID 55228241

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCn1c(CNCCc2nccs2)nc2ccccc21
InChIInChI=1S/C14H16N4S/c1-18-12-5-3-2-4-11(12)17-13(18)10-15-7-6-14-16-8-9-19-14/h2-5,8-9,15H,6-7,10H2,1H3
InChIKeyBCCUEOTZPWVEGN-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.36
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 55228241) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID55228241
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCn1c(CNCCc2nccs2)nc2ccccc21
InChIInChI=1S/C14H16N4S/c1-18-12-5-3-2-4-11(12)17-13(18)10-15-7-6-14-16-8-9-19-14/h2-5,8-9,15H,6-7,10H2,1H3
InChIKeyBCCUEOTZPWVEGN-UHFFFAOYSA-N
XLogP2.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 78911712
2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 83961969
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylsulfanylethanamine
CID 62999735
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
2-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 63032804
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987
N-(furan-2-ylmethyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 83961971
N-[(2-ethoxyquinolin-3-yl)methyl]-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 46971377
N'-butan-2-yl-N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]ethane-1,2-diamine
CID 103641544

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 55228241) is N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is Cn1c(CNCCc2nccs2)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is BCCUEOTZPWVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-18-12-5-3-2-4-11(12)17-13(18)10-15-7-6-14-16-8-9-19-14/h2-5,8-9,15H,6-7,10H2,1H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 272.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 55228241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).