4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine

C14H18ClN3O — CID 115473010

IUPAC4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine
SMILESCC(C)n1c(C2COCC2N)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3O/c1-8(2)18-13-5-9(15)3-4-12(13)17-14(18)10-6-19-7-11(10)16/h3-5,8,10-11H,6-7,16H2,1-2H3
InChIKeyUSXXMOYTUPVWJV-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.71
Rot. Bonds2

About 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine

4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine (PubChem CID 115473010) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine
PubChem CID115473010
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine
SMILESCC(C)n1c(C2COCC2N)nc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3O/c1-8(2)18-13-5-9(15)3-4-12(13)17-14(18)10-6-19-7-11(10)16/h3-5,8,10-11H,6-7,16H2,1-2H3
InChIKeyUSXXMOYTUPVWJV-UHFFFAOYSA-N
XLogP2.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine?
The IUPAC name of 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine (CID 115473010) is 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine?
The canonical SMILES for 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine is CC(C)n1c(C2COCC2N)nc2ccc(Cl)cc21.
What is the InChIKey of 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine?
The InChIKey is USXXMOYTUPVWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-8(2)18-13-5-9(15)3-4-12(13)17-14(18)10-6-19-7-11(10)16/h3-5,8,10-11H,6-7,16H2,1-2H3.
What are the key properties of 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine?
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine has a molecular weight of 279.77 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 115473010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).