cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine

C13H17N3 — CID 106322532

IUPACcis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
SMILESCc1cccc2[nH]c([C@@H]3CC[C@H](N)C3)nc12
InChIInChI=1S/C13H17N3/c1-8-3-2-4-11-12(8)16-13(15-11)9-5-6-10(14)7-9/h2-4,9-10H,5-7,14H2,1H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyHUHHFKZTYBHYGB-ZJUUUORDSA-N
MW215.30 g/mol
LogP2.47
Rot. Bonds1

About cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine

cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine (PubChem CID 106322532) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
PubChem CID106322532
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Namecis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
SMILESCc1cccc2[nH]c([C@@H]3CC[C@H](N)C3)nc12
InChIInChI=1S/C13H17N3/c1-8-3-2-4-11-12(8)16-13(15-11)9-5-6-10(14)7-9/h2-4,9-10H,5-7,14H2,1H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyHUHHFKZTYBHYGB-ZJUUUORDSA-N
XLogP2.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine (CID 106322532) is cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine is Cc1cccc2[nH]c([C@@H]3CC[C@H](N)C3)nc12.
What is the InChIKey of cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The InChIKey is HUHHFKZTYBHYGB-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17N3/c1-8-3-2-4-11-12(8)16-13(15-11)9-5-6-10(14)7-9/h2-4,9-10H,5-7,14H2,1H3,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine?
cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(4-methyl-1H-benzimidazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 106322532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).