4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine

C14H18ClN3O — CID 66254218

IUPAC4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C14H18ClN3O/c1-2-6-16-12-8-19-7-9(12)14-17-11-5-3-4-10(15)13(11)18-14/h3-5,9,12,16H,2,6-8H2,1H3,(H,17,18)
InChIKeyFKQJHNFBNMTHTK-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.70
Rot. Bonds4

About 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine

4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine (PubChem CID 66254218) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine
PubChem CID66254218
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc2c(Cl)cccc2[nH]1
InChIInChI=1S/C14H18ClN3O/c1-2-6-16-12-8-19-7-9(12)14-17-11-5-3-4-10(15)13(11)18-14/h3-5,9,12,16H,2,6-8H2,1H3,(H,17,18)
InChIKeyFKQJHNFBNMTHTK-UHFFFAOYSA-N
XLogP2.70
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine?
The IUPAC name of 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine (CID 66254218) is 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine.
What is the SMILES notation for 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine?
The canonical SMILES for 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine is CCCNC1COCC1c1nc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine?
The InChIKey is FKQJHNFBNMTHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-2-6-16-12-8-19-7-9(12)14-17-11-5-3-4-10(15)13(11)18-14/h3-5,9,12,16H,2,6-8H2,1H3,(H,17,18).
What are the key properties of 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine?
4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine has a molecular weight of 279.77 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1H-benzimidazol-2-yl)-N-propyloxolan-3-amine is sourced from PubChem (CID 66254218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).