[5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine

C14H15ClN4S — CID 63628688

IUPAC[5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCCn1c(-c2sc(CN)nc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C14H15ClN4S/c1-3-19-11-5-4-9(15)6-10(11)18-14(19)13-8(2)17-12(7-16)20-13/h4-6H,3,7,16H2,1-2H3
InChIKeyRWBADVTXKADBSQ-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.60
Rot. Bonds3

About [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine

[5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (PubChem CID 63628688) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
PubChem CID63628688
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name[5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine
SMILESCCn1c(-c2sc(CN)nc2C)nc2cc(Cl)ccc21
InChIInChI=1S/C14H15ClN4S/c1-3-19-11-5-4-9(15)6-10(11)18-14(19)13-8(2)17-12(7-16)20-13/h4-6H,3,7,16H2,1-2H3
InChIKeyRWBADVTXKADBSQ-UHFFFAOYSA-N
XLogP3.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261
[2-(2-bromo-4-chlorophenyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 107994624
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
[1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine
CID 65038302
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
CID 115472637
[1-(5-chloro-1-ethylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 113312218
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
3-(5-chloro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784251
5-chloro-2-methyl-1-propylbenzimidazole
CID 46310722

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine (CID 63628688) is [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is CCn1c(-c2sc(CN)nc2C)nc2cc(Cl)ccc21.
What is the InChIKey of [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is RWBADVTXKADBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-3-19-11-5-4-9(15)6-10(11)18-14(19)13-8(2)17-12(7-16)20-13/h4-6H,3,7,16H2,1-2H3.
What are the key properties of [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine?
[5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 306.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-1-ethylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 63628688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).