4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine

C15H18N4OS — CID 106035762

IUPAC4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2CCc1csc(C)n1
InChIInChI=1S/C15H18N4OS/c1-3-20-13-6-4-5-12-14(13)18-15(16)19(12)8-7-11-9-21-10(2)17-11/h4-6,9H,3,7-8H2,1-2H3,(H2,16,18)
InChIKeyLEQGDFZTGJNRTL-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.02
Rot. Bonds5

About 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine

4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine (PubChem CID 106035762) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
PubChem CID106035762
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine
SMILESCCOc1cccc2c1nc(N)n2CCc1csc(C)n1
InChIInChI=1S/C15H18N4OS/c1-3-20-13-6-4-5-12-14(13)18-15(16)19(12)8-7-11-9-21-10(2)17-11/h4-6,9H,3,7-8H2,1-2H3,(H2,16,18)
InChIKeyLEQGDFZTGJNRTL-UHFFFAOYSA-N
XLogP3.02
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326378
4-chloro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-2-amine
CID 104836999
4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 113463958
4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine
CID 106019994
2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
CID 113393090
N-(2-ethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332800
1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
CID 107575930
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
CID 103480612
2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide
CID 106346313
4-[2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 106036973

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine (CID 106035762) is 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine is CCOc1cccc2c1nc(N)n2CCc1csc(C)n1.
What is the InChIKey of 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine?
The InChIKey is LEQGDFZTGJNRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-20-13-6-4-5-12-14(13)18-15(16)19(12)8-7-11-9-21-10(2)17-11/h4-6,9H,3,7-8H2,1-2H3,(H2,16,18).
What are the key properties of 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine?
4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine has a molecular weight of 302.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106035762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).