4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine

C15H20ClN3O — CID 66250503

IUPAC4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine
SMILESCCCn1c(C2(C)COCC2N)nc2cccc(Cl)c21
InChIInChI=1S/C15H20ClN3O/c1-3-7-19-13-10(16)5-4-6-11(13)18-14(19)15(2)9-20-8-12(15)17/h4-6,12H,3,7-9,17H2,1-2H3
InChIKeyNBVJDNKTLXJVAE-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.71
Rot. Bonds3

About 4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine

4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine (PubChem CID 66250503) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine
PubChem CID66250503
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine
SMILESCCCn1c(C2(C)COCC2N)nc2cccc(Cl)c21
InChIInChI=1S/C15H20ClN3O/c1-3-7-19-13-10(16)5-4-6-11(13)18-14(19)15(2)9-20-8-12(15)17/h4-6,12H,3,7-9,17H2,1-2H3
InChIKeyNBVJDNKTLXJVAE-UHFFFAOYSA-N
XLogP2.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
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-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine?
The IUPAC name of 4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine (CID 66250503) is 4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine.
What is the SMILES notation for 4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine?
The canonical SMILES for 4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine is CCCn1c(C2(C)COCC2N)nc2cccc(Cl)c21.
What is the InChIKey of 4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine?
The InChIKey is NBVJDNKTLXJVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-7-19-13-10(16)5-4-6-11(13)18-14(19)15(2)9-20-8-12(15)17/h4-6,12H,3,7-9,17H2,1-2H3.
What are the key properties of 4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine?
4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine has a molecular weight of 293.80 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-propylbenzimidazol-2-yl)-4-methyloxolan-3-amine is sourced from PubChem (CID 66250503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).