2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine

C13H17N3 — CID 117307095

IUPAC2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine
SMILESCC(C)(N)c1ccc2nc3n(c2c1)CCC3
InChIInChI=1S/C13H17N3/c1-13(2,14)9-5-6-10-11(8-9)16-7-3-4-12(16)15-10/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyNLPMAEWKTDJVBC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.18
Rot. Bonds1

About 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine

2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine (PubChem CID 117307095) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine
PubChem CID117307095
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine
SMILESCC(C)(N)c1ccc2nc3n(c2c1)CCC3
InChIInChI=1S/C13H17N3/c1-13(2,14)9-5-6-10-11(8-9)16-7-3-4-12(16)15-10/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyNLPMAEWKTDJVBC-UHFFFAOYSA-N
XLogP2.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-3-methylbutanoic acid
CID 117399432
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 91675309
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde
CID 82405915
6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 695586
6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
CID 175752504
7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 102045736
4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid
CID 117362606
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carbaldehyde
CID 82405887
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
2-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 18992694
11-methoxy-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene
CID 25157666
4-[5-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)pyrimidin-2-yl]-2-hydroxy-4-methyl-1,3,2λ5-dioxaphosphetane 2-oxide
CID 145054458

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine?
The IUPAC name of 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine (CID 117307095) is 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine.
What is the SMILES notation for 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine?
The canonical SMILES for 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine is CC(C)(N)c1ccc2nc3n(c2c1)CCC3.
What is the InChIKey of 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine?
The InChIKey is NLPMAEWKTDJVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2,14)9-5-6-10-11(8-9)16-7-3-4-12(16)15-10/h5-6,8H,3-4,7,14H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine?
2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine is sourced from PubChem (CID 117307095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).