(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine

C10H12ClN3 — CID 94673305

IUPAC(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCc1cc2[nH]c([C@@H](C)N)nc2cc1Cl
InChIInChI=1S/C10H12ClN3/c1-5-3-8-9(4-7(5)11)14-10(13-8)6(2)12/h3-4,6H,12H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyPYWXMTQXQMSQJG-ZCFIWIBFSA-N
MW209.68 g/mol
LogP2.54
Rot. Bonds1

About (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine

(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine (PubChem CID 94673305) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
PubChem CID94673305
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine
SMILESCc1cc2[nH]c([C@@H](C)N)nc2cc1Cl
InChIInChI=1S/C10H12ClN3/c1-5-3-8-9(4-7(5)11)14-10(13-8)6(2)12/h3-4,6H,12H2,1-2H3,(H,13,14)/t6-/m1/s1
InChIKeyPYWXMTQXQMSQJG-ZCFIWIBFSA-N
XLogP2.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine (CID 94673305) is (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine is Cc1cc2[nH]c([C@@H](C)N)nc2cc1Cl.
What is the InChIKey of (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is PYWXMTQXQMSQJG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-5-3-8-9(4-7(5)11)14-10(13-8)6(2)12/h3-4,6H,12H2,1-2H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine?
(1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 209.68 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 94673305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).