5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C15H13Br2N3O — CID 66474217

IUPAC5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)ccc1Br
InChIInChI=1S/C15H13Br2N3O/c1-8-4-9(2-3-10(8)16)7-18-12-6-14-13(5-11(12)17)19-15(21)20-14/h2-6,18H,7H2,1H3,(H2,19,20,21)
InChIKeyQXRHXPZTNWXVHD-UHFFFAOYSA-N
MW411.10 g/mol
LogP4.30
Rot. Bonds3

About 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 66474217) has the molecular formula C15H13Br2N3O and a molecular weight of 411.10 g/mol. Its IUPAC name is 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID66474217
Molecular FormulaC15H13Br2N3O
Molecular Weight411.10 g/mol
Exact Mass408.94
IUPAC Name5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)ccc1Br
InChIInChI=1S/C15H13Br2N3O/c1-8-4-9(2-3-10(8)16)7-18-12-6-14-13(5-11(12)17)19-15(21)20-14/h2-6,18H,7H2,1H3,(H2,19,20,21)
InChIKeyQXRHXPZTNWXVHD-UHFFFAOYSA-N
XLogP4.30
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.10
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 66474217) is 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is Cc1cc(CNc2cc3[nH]c(=O)[nH]c3cc2Br)ccc1Br.
What is the InChIKey of 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QXRHXPZTNWXVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3O/c1-8-4-9(2-3-10(8)16)7-18-12-6-14-13(5-11(12)17)19-15(21)20-14/h2-6,18H,7H2,1H3,(H2,19,20,21).
What are the key properties of 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 411.10 g/mol, XLogP of 4.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4-bromo-3-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 66474217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).