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

C10H10ClN3 — CID 115025603

IUPAC7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine
SMILESNC1CCn2c1nc1ccc(Cl)cc12
InChIInChI=1S/C10H10ClN3/c11-6-1-2-8-9(5-6)14-4-3-7(12)10(14)13-8/h1-2,5,7H,3-4,12H2
InChIKeyHSHFWBVQFNKNEA-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.09
Rot. Bonds

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

7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine (PubChem CID 115025603) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine.

Molecular Properties

Compound Name7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine
PubChem CID115025603
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine
SMILESNC1CCn2c1nc1ccc(Cl)cc12
InChIInChI=1S/C10H10ClN3/c11-6-1-2-8-9(5-6)14-4-3-7(12)10(14)13-8/h1-2,5,7H,3-4,12H2
InChIKeyHSHFWBVQFNKNEA-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine?
The IUPAC name of 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine (CID 115025603) is 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine.
What is the SMILES notation for 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine?
The canonical SMILES for 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine is NC1CCn2c1nc1ccc(Cl)cc12.
What is the InChIKey of 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine?
The InChIKey is HSHFWBVQFNKNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-6-1-2-8-9(5-6)14-4-3-7(12)10(14)13-8/h1-2,5,7H,3-4,12H2.
What are the key properties of 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine?
7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine has a molecular weight of 207.66 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-amine is sourced from PubChem (CID 115025603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).