7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

C12H14ClN3O — CID 82728859

IUPAC7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H14ClN3O/c1-7-10(5-6-17-7)16-11-8(13)3-2-4-9(11)15-12(16)14/h2-4,7,10H,5-6H2,1H3,(H2,14,15)
InChIKeyVKVXTYXFAFCVIA-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.62
Rot. Bonds1

About 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine

7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (PubChem CID 82728859) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
PubChem CID82728859
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
SMILESCC1OCCC1n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H14ClN3O/c1-7-10(5-6-17-7)16-11-8(13)3-2-4-9(11)15-12(16)14/h2-4,7,10H,5-6H2,1H3,(H2,14,15)
InChIKeyVKVXTYXFAFCVIA-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine (CID 82728859) is 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is CC1OCCC1n1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
The InChIKey is VKVXTYXFAFCVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-7-10(5-6-17-7)16-11-8(13)3-2-4-9(11)15-12(16)14/h2-4,7,10H,5-6H2,1H3,(H2,14,15).
What are the key properties of 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine?
7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine has a molecular weight of 251.72 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 82728859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).