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

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Related Compounds

4-(6-chloro-1-methylbenzimidazol-2-yl)-N-ethyloxolan-3-amine
CID 115472457
4-(5-chloro-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine
CID 66253450
6-chloro-2-cyclopropyl-1-methylbenzimidazole
CID 46310330
4-(6-chloro-1-ethylbenzimidazol-2-yl)oxolan-3-amine
CID 113316577
4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine
CID 66254218
4-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-N-methyloxolan-3-amine
CID 66235372
4-(6-methyl-1,3-benzothiazol-2-yl)-N-propyloxolan-3-amine
CID 79142872
4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252106
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)oxolan-3-amine
CID 115473010
4-(5-chloro-1,3-benzoxazol-2-yl)-N-ethyloxolan-3-amine
CID 66246475
6-chloro-2-(oxolan-2-yl)-1-propylbenzimidazole
CID 46310785
4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine
CID 102696585

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).