7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

C10H9N3O2 — CID 102045736

IUPAC7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESO=[N+]([O-])c1ccc2nc3n(c2c1)CCC3
InChIInChI=1S/C10H9N3O2/c14-13(15)7-3-4-8-9(6-7)12-5-1-2-10(12)11-8/h3-4,6H,1-2,5H2
InChIKeyWIYXSPITFVMQBI-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.89
Rot. Bonds1

About 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole

7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (PubChem CID 102045736) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
PubChem CID102045736
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
SMILESO=[N+]([O-])c1ccc2nc3n(c2c1)CCC3
InChIInChI=1S/C10H9N3O2/c14-13(15)7-3-4-8-9(6-7)12-5-1-2-10(12)11-8/h3-4,6H,1-2,5H2
InChIKeyWIYXSPITFVMQBI-UHFFFAOYSA-N
XLogP1.89
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazole
CID 3567443
7,8-dinitro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 154700687
6,7-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 695586
6-nitro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)quinolin-2-amine
CID 133382931
3-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)-3-methylbutanoic acid
CID 117399432
2-(3-nitrophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450645
4-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl)butanoic acid
CID 117362606
1-methyl-6-nitro-2-(trifluoromethyl)benzimidazole
CID 67283381
6-nitro-2,3-di(piperidin-1-yl)quinoxaline
CID 4597717
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
1-methyl-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-6-nitrobenzimidazole
CID 10901729
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923

Frequently Asked Questions

What is the IUPAC name of 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The IUPAC name of 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole (CID 102045736) is 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole.
What is the SMILES notation for 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The canonical SMILES for 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is O=[N+]([O-])c1ccc2nc3n(c2c1)CCC3.
What is the InChIKey of 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
The InChIKey is WIYXSPITFVMQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-13(15)7-3-4-8-9(6-7)12-5-1-2-10(12)11-8/h3-4,6H,1-2,5H2.
What are the key properties of 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole?
7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole has a molecular weight of 203.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole is sourced from PubChem (CID 102045736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).