2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine

C14H19N3O — CID 115466883

IUPAC2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nc2c([nH]1)CCc1occc1-2
InChIInChI=1S/C14H19N3O/c1-2-3-9(8-15)14-16-11-4-5-12-10(6-7-18-12)13(11)17-14/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeySAEVOXRDLQJYCN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.61
Rot. Bonds4

About 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine

2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine (PubChem CID 115466883) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine
PubChem CID115466883
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nc2c([nH]1)CCc1occc1-2
InChIInChI=1S/C14H19N3O/c1-2-3-9(8-15)14-16-11-4-5-12-10(6-7-18-12)13(11)17-14/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeySAEVOXRDLQJYCN-UHFFFAOYSA-N
XLogP2.61
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine (CID 115466883) is 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine is CCCC(CN)c1nc2c([nH]1)CCc1occc1-2.
What is the InChIKey of 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine?
The InChIKey is SAEVOXRDLQJYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-9(8-15)14-16-11-4-5-12-10(6-7-18-12)13(11)17-14/h6-7,9H,2-5,8,15H2,1H3,(H,16,17).
What are the key properties of 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine?
2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-3H-furo[3,2-e]benzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 115466883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).