5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one

C13H11BrN4O — CID 115147001

IUPAC5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(Nc2ccc3[nH]c(=O)[nH]c3c2)ncc1Br
InChIInChI=1S/C13H11BrN4O/c1-7-4-12(15-6-9(7)14)16-8-2-3-10-11(5-8)18-13(19)17-10/h2-6H,1H3,(H,15,16)(H2,17,18,19)
InChIKeyPWNXTULBNXQKTH-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.07
Rot. Bonds2

About 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one

5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115147001) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID115147001
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(Nc2ccc3[nH]c(=O)[nH]c3c2)ncc1Br
InChIInChI=1S/C13H11BrN4O/c1-7-4-12(15-6-9(7)14)16-8-2-3-10-11(5-8)18-13(19)17-10/h2-6H,1H3,(H,15,16)(H2,17,18,19)
InChIKeyPWNXTULBNXQKTH-UHFFFAOYSA-N
XLogP3.07
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-bromo-4-methyl-2-pyridinyl)benzene-1,3-diamine
CID 114869099
N-(5-bromo-4-methyl-2-pyridinyl)-1,3-benzothiazol-6-amine
CID 107801119
5-N-(5-bromo-4-methyl-2-pyridinyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 155298292
5-bromo-N-[4-(methoxymethyl)phenyl]-4-methylpyridin-2-amine
CID 114252835
5-bromo-4-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-amine
CID 114870519
5-bromo-N-(4-methoxy-3,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 115147018
5-[(6-piperidin-1-ylpyrimidin-4-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 22432880
5-(2-amino-6-methylanilino)-1,3-dihydrobenzimidazol-2-one
CID 115125959
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
5-bromo-N-(2-bromo-5-methylphenyl)-4-methylpyridin-2-amine
CID 114870518
5-bromo-N-(2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 114870190
N-ethyl-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-phenylpyridine-3-sulfonamide
CID 25378310

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one (CID 115147001) is 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one is Cc1cc(Nc2ccc3[nH]c(=O)[nH]c3c2)ncc1Br.
What is the InChIKey of 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PWNXTULBNXQKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-7-4-12(15-6-9(7)14)16-8-2-3-10-11(5-8)18-13(19)17-10/h2-6H,1H3,(H,15,16)(H2,17,18,19).
What are the key properties of 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 319.16 g/mol, XLogP of 3.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-4-methyl-2-pyridinyl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115147001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).