3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine

C10H15N3 — CID 170631484

IUPAC3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine
SMILESNCCCC1=CC2NC=NC2C=C1
InChIInChI=1S/C10H15N3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7,9-10H,1-2,5,11H2,(H,12,13)
InChIKeyQPWWCGXFEVQYNE-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.59
Rot. Bonds3

About 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine

3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine (PubChem CID 170631484) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine
PubChem CID170631484
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine
SMILESNCCCC1=CC2NC=NC2C=C1
InChIInChI=1S/C10H15N3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7,9-10H,1-2,5,11H2,(H,12,13)
InChIKeyQPWWCGXFEVQYNE-UHFFFAOYSA-N
XLogP0.59
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-7-(2-fluoroethyl)-6-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 91281240
6-methyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazole
CID 146992511
5-fluoro-6-methyl-3a,7a-dihydro-1H-benzimidazole
CID 149309374
6-fluoro-5-methyl-3a,6,7,7a-tetrahydro-1H-benzimidazole
CID 163582524
3a,4,5,7a-Tetrahydro-1h-benzo[d]imidazole
CID 177256753
4-fluoro-7-(2-fluoroethyl)-6-propan-2-yl-3a,7a-dihydro-1H-benzimidazole
CID 91281241
3a,7a-dihydro-1H-benzimidazole
CID 15762978
3a,4-dihydro-1H-benzimidazole
CID 18186079
5,5a,6,9b-tetrahydro-3H-benzo[e]benzimidazole
CID 18435675
2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CID 20467551
2,6-dimethyl-3a,7a-dihydro-1H-benzimidazole
CID 20641728
6-tert-butyl-3a,7a-dihydro-1H-benzimidazole
CID 59224397

Frequently Asked Questions

What is the IUPAC name of 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine?
The IUPAC name of 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine (CID 170631484) is 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine is NCCCC1=CC2NC=NC2C=C1.
What is the InChIKey of 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine?
The InChIKey is QPWWCGXFEVQYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7,9-10H,1-2,5,11H2,(H,12,13).
What are the key properties of 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine?
3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine has a molecular weight of 177.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine is sourced from PubChem (CID 170631484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).