6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine

C11H13N3 — CID 175752504

IUPAC6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
SMILESCc1cc2nc3n(c2cc1N)CCC3
InChIInChI=1S/C11H13N3/c1-7-5-9-10(6-8(7)12)14-4-2-3-11(14)13-9/h5-6H,2-4,12H2,1H3
InChIKeyLZUBIMWLRBQWHT-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.87
Rot. Bonds

About 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine

6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine (PubChem CID 175752504) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
PubChem CID175752504
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
SMILESCc1cc2nc3n(c2cc1N)CCC3
InChIInChI=1S/C11H13N3/c1-7-5-9-10(6-8(7)12)14-4-2-3-11(14)13-9/h5-6H,2-4,12H2,1H3
InChIKeyLZUBIMWLRBQWHT-UHFFFAOYSA-N
XLogP1.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 695586
2-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)propan-2-amine
CID 117307095
6-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 91675309
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-6-carbaldehyde
CID 82405887
2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carbaldehyde
CID 82405915
7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 154700687
4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,9,11,19-pentaen-2-amine
CID 46862205
7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 102045736
5-amino-2-methyl-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)benzamide
CID 120639719
2,3-dimethyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-imine
CID 18992571
3-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-3-methylbutanoic acid
CID 117399432
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine?
The IUPAC name of 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine (CID 175752504) is 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine.
What is the SMILES notation for 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine?
The canonical SMILES for 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine is Cc1cc2nc3n(c2cc1N)CCC3.
What is the InChIKey of 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine?
The InChIKey is LZUBIMWLRBQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-5-9-10(6-8(7)12)14-4-2-3-11(14)13-9/h5-6H,2-4,12H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine?
6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine has a molecular weight of 187.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine is sourced from PubChem (CID 175752504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).