4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine

C14H18ClN3O — CID 115472457

IUPAC4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C14H18ClN3O/c1-3-16-12-8-19-7-10(12)14-17-11-5-4-9(15)6-13(11)18(14)2/h4-6,10,12,16H,3,7-8H2,1-2H3
InChIKeyJJBIGMQEFUTIHY-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.32
Rot. Bonds3

About 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine

4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine (PubChem CID 115472457) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
PubChem CID115472457
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C14H18ClN3O/c1-3-16-12-8-19-7-10(12)14-17-11-5-4-9(15)6-13(11)18(14)2/h4-6,10,12,16H,3,7-8H2,1-2H3
InChIKeyJJBIGMQEFUTIHY-UHFFFAOYSA-N
XLogP2.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.32
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-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine?
The IUPAC name of 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine (CID 115472457) is 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine?
The canonical SMILES for 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine is CCNC1COCC1c1nc2ccc(Cl)cc2n1C.
What is the InChIKey of 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine?
The InChIKey is JJBIGMQEFUTIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-16-12-8-19-7-10(12)14-17-11-5-4-9(15)6-13(11)18(14)2/h4-6,10,12,16H,3,7-8H2,1-2H3.
What are the key properties of 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine?
4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine has a molecular weight of 279.77 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine is sourced from PubChem (CID 115472457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).