6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine

C16H16ClN3 — CID 115470703

IUPAC6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
SMILESCc1ccccc1CCn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClN3/c1-11-4-2-3-5-12(11)8-9-20-15-10-13(17)6-7-14(15)19-16(20)18/h2-7,10H,8-9H2,1H3,(H2,18,19)
InChIKeySZZDKDGMAKDWEL-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.82
Rot. Bonds3

About 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine

6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine (PubChem CID 115470703) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
PubChem CID115470703
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
SMILESCc1ccccc1CCn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClN3/c1-11-4-2-3-5-12(11)8-9-20-15-10-13(17)6-7-14(15)19-16(20)18/h2-7,10H,8-9H2,1H3,(H2,18,19)
InChIKeySZZDKDGMAKDWEL-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine (CID 115470703) is 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine is Cc1ccccc1CCn1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The InChIKey is SZZDKDGMAKDWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11-4-2-3-5-12(11)8-9-20-15-10-13(17)6-7-14(15)19-16(20)18/h2-7,10H,8-9H2,1H3,(H2,18,19).
What are the key properties of 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine?
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 115470703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).