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

C15H20ClN3O — CID 115472367

IUPAC4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C15H20ClN3O/c1-3-6-17-13-9-20-8-11(13)15-18-12-5-4-10(16)7-14(12)19(15)2/h4-5,7,11,13,17H,3,6,8-9H2,1-2H3
InChIKeySAVPLUSRHASAMF-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.71
Rot. Bonds4

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

4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine (PubChem CID 115472367) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine
PubChem CID115472367
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C15H20ClN3O/c1-3-6-17-13-9-20-8-11(13)15-18-12-5-4-10(16)7-14(12)19(15)2/h4-5,7,11,13,17H,3,6,8-9H2,1-2H3
InChIKeySAVPLUSRHASAMF-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

Analyze 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine?
The IUPAC name of 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine (CID 115472367) is 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine.
What is the SMILES notation for 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine?
The canonical SMILES for 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine is CCCNC1COCC1c1nc2ccc(Cl)cc2n1C.
What is the InChIKey of 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine?
The InChIKey is SAVPLUSRHASAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-6-17-13-9-20-8-11(13)15-18-12-5-4-10(16)7-14(12)19(15)2/h4-5,7,11,13,17H,3,6,8-9H2,1-2H3.
What are the key properties of 4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine?
4-(6-chloro-1-methylbenzimidazol-2-yl)-N-propyloxolan-3-amine has a molecular weight of 293.80 g/mol, XLogP of 2.71, 4 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-propyloxolan-3-amine is sourced from PubChem (CID 115472367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).