(2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one

C16H20N2O — CID 97159914

IUPAC(2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one
SMILESCc1cc2ncn(CC[C@H]3CCCC3=O)c2cc1C
InChIInChI=1S/C16H20N2O/c1-11-8-14-15(9-12(11)2)18(10-17-14)7-6-13-4-3-5-16(13)19/h8-10,13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyDDVRKSUKSQBMOJ-CYBMUJFWSA-N
MW256.35 g/mol
LogP3.41
Rot. Bonds3

About (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one

(2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one (PubChem CID 97159914) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one
PubChem CID97159914
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one
SMILESCc1cc2ncn(CC[C@H]3CCCC3=O)c2cc1C
InChIInChI=1S/C16H20N2O/c1-11-8-14-15(9-12(11)2)18(10-17-14)7-6-13-4-3-5-16(13)19/h8-10,13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyDDVRKSUKSQBMOJ-CYBMUJFWSA-N
XLogP3.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one?
The IUPAC name of (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one (CID 97159914) is (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one.
What is the SMILES notation for (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one?
The canonical SMILES for (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one is Cc1cc2ncn(CC[C@H]3CCCC3=O)c2cc1C.
What is the InChIKey of (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one?
The InChIKey is DDVRKSUKSQBMOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-8-14-15(9-12(11)2)18(10-17-14)7-6-13-4-3-5-16(13)19/h8-10,13H,3-7H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one?
(2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]cyclopentan-1-one is sourced from PubChem (CID 97159914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).