3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide

C14H17N3O — CID 82354697

IUPAC3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide
SMILESNC(=O)CCc1nc2cc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C14H17N3O/c15-13(18)5-6-14-16-11-7-9-3-1-2-4-10(9)8-12(11)17-14/h7-8H,1-6H2,(H2,15,18)(H,16,17)
InChIKeyCDESVXBLEOMSJI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.86
Rot. Bonds3

About 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide

3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide (PubChem CID 82354697) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide
PubChem CID82354697
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide
SMILESNC(=O)CCc1nc2cc3c(cc2[nH]1)CCCC3
InChIInChI=1S/C14H17N3O/c15-13(18)5-6-14-16-11-7-9-3-1-2-4-10(9)8-12(11)17-14/h7-8H,1-6H2,(H2,15,18)(H,16,17)
InChIKeyCDESVXBLEOMSJI-UHFFFAOYSA-N
XLogP1.86
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide?
The IUPAC name of 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide (CID 82354697) is 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide.
What is the SMILES notation for 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide?
The canonical SMILES for 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide is NC(=O)CCc1nc2cc3c(cc2[nH]1)CCCC3.
What is the InChIKey of 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide?
The InChIKey is CDESVXBLEOMSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-13(18)5-6-14-16-11-7-9-3-1-2-4-10(9)8-12(11)17-14/h7-8H,1-6H2,(H2,15,18)(H,16,17).
What are the key properties of 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide?
3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide has a molecular weight of 243.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydro-1H-benzo[f]benzimidazol-2-yl)propanamide is sourced from PubChem (CID 82354697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).