5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine

C11H9ClN4S — CID 54964595

IUPAC5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1Cc1nccs1
InChIInChI=1S/C11H9ClN4S/c12-7-1-2-9-8(5-7)15-11(13)16(9)6-10-14-3-4-17-10/h1-5H,6H2,(H2,13,15)
InChIKeyYHKLTVRIPYSMSQ-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.78
Rot. Bonds2

About 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine

5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine (PubChem CID 54964595) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine
PubChem CID54964595
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)ccc2n1Cc1nccs1
InChIInChI=1S/C11H9ClN4S/c12-7-1-2-9-8(5-7)15-11(13)16(9)6-10-14-3-4-17-10/h1-5H,6H2,(H2,13,15)
InChIKeyYHKLTVRIPYSMSQ-UHFFFAOYSA-N
XLogP2.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 63240191
2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 115471283
2-amino-3-(1,3-thiazol-2-ylmethyl)benzimidazole-5-carbonitrile
CID 104714921
2-ethyl-1-(1,3-thiazol-2-ylmethyl)benzimidazol-5-amine
CID 55079804
3-(1,3-thiazol-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79290074
5-chloro-1-(thian-4-ylmethyl)benzimidazol-2-amine
CID 113487879
1-(2-amino-5-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053647
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
CID 115520874
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520901
5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088253

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine (CID 54964595) is 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine is Nc1nc2cc(Cl)ccc2n1Cc1nccs1.
What is the InChIKey of 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is YHKLTVRIPYSMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-7-1-2-9-8(5-7)15-11(13)16(9)6-10-14-3-4-17-10/h1-5H,6H2,(H2,13,15).
What are the key properties of 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine?
5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 264.74 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1,3-thiazol-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 54964595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).