4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine

C15H18BrN5 — CID 18379867

IUPAC4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine
SMILESBrc1c(NC2=NCCN2)ccc2c1ncn2C1CCCC1
InChIInChI=1S/C15H18BrN5/c16-13-11(20-15-17-7-8-18-15)5-6-12-14(13)19-9-21(12)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H2,17,18,20)
InChIKeyZHUXOOXGJOUKND-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.29
Rot. Bonds2

About 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine

4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine (PubChem CID 18379867) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine
PubChem CID18379867
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine
SMILESBrc1c(NC2=NCCN2)ccc2c1ncn2C1CCCC1
InChIInChI=1S/C15H18BrN5/c16-13-11(20-15-17-7-8-18-15)5-6-12-14(13)19-9-21(12)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H2,17,18,20)
InChIKeyZHUXOOXGJOUKND-UHFFFAOYSA-N
XLogP3.29
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine?
The IUPAC name of 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine (CID 18379867) is 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine.
What is the SMILES notation for 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine?
The canonical SMILES for 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine is Brc1c(NC2=NCCN2)ccc2c1ncn2C1CCCC1.
What is the InChIKey of 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine?
The InChIKey is ZHUXOOXGJOUKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c16-13-11(20-15-17-7-8-18-15)5-6-12-14(13)19-9-21(12)10-3-1-2-4-10/h5-6,9-10H,1-4,7-8H2,(H2,17,18,20).
What are the key properties of 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine?
4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine has a molecular weight of 348.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopentyl-N-(4,5-dihydro-1H-imidazol-2-yl)benzimidazol-5-amine is sourced from PubChem (CID 18379867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).