N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine

C15H18N4S — CID 60980527

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCn1c(CNCc2cnc(C)s2)nc2ccccc21
InChIInChI=1S/C15H18N4S/c1-3-19-14-7-5-4-6-13(14)18-15(19)10-16-8-12-9-17-11(2)20-12/h4-7,9,16H,3,8,10H2,1-2H3
InChIKeyHCMJFOPDOYRTER-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.11
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine

N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 60980527) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID60980527
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
SMILESCCn1c(CNCc2cnc(C)s2)nc2ccccc21
InChIInChI=1S/C15H18N4S/c1-3-19-14-7-5-4-6-13(14)18-15(19)10-16-8-12-9-17-11(2)20-12/h4-7,9,16H,3,8,10H2,1-2H3
InChIKeyHCMJFOPDOYRTER-UHFFFAOYSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
2-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3-thiazole
CID 78971489
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(6-pyrrolidin-1-yl-3-pyridinyl)methanamine
CID 56816229
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135109990
4-[2-(1-methylbenzimidazol-2-yl)ethyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 46976830

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine (CID 60980527) is N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine is CCn1c(CNCc2cnc(C)s2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is HCMJFOPDOYRTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-3-19-14-7-5-4-6-13(14)18-15(19)10-16-8-12-9-17-11(2)20-12/h4-7,9,16H,3,8,10H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 286.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 60980527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).