6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine

C12H13ClN6 — CID 115470575

IUPAC6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCC(c1nncn1C)n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C12H13ClN6/c1-7(11-17-15-6-18(11)2)19-10-5-8(13)3-4-9(10)16-12(19)14/h3-7H,1-2H3,(H2,14,16)
InChIKeyRDBDCQCZOQIEGH-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.01
Rot. Bonds2

About 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine

6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 115470575) has the molecular formula C12H13ClN6 and a molecular weight of 276.73 g/mol. Its IUPAC name is 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID115470575
Molecular FormulaC12H13ClN6
Molecular Weight276.73 g/mol
Exact Mass276.09
IUPAC Name6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCC(c1nncn1C)n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C12H13ClN6/c1-7(11-17-15-6-18(11)2)19-10-5-8(13)3-4-9(10)16-12(19)14/h3-7H,1-2H3,(H2,14,16)
InChIKeyRDBDCQCZOQIEGH-UHFFFAOYSA-N
XLogP2.01
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-difluoro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115508823
5-chloro-2-(2-chloroethyl)-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 62119224
6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470510
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 113316215
6-chloro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 62117745
6-chloro-2-(1-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 115471528
6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113316180
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine
CID 79506412
6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine
CID 83018739
2-(2-chloroethyl)-5-iodo-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 66082053
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
CID 115470600

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine (CID 115470575) is 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine is CC(c1nncn1C)n1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is RDBDCQCZOQIEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN6/c1-7(11-17-15-6-18(11)2)19-10-5-8(13)3-4-9(10)16-12(19)14/h3-7H,1-2H3,(H2,14,16).
What are the key properties of 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine?
6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 276.73 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 115470575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).