5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one

C14H19BrN4O — CID 79541568

IUPAC5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CC1CCCN1)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H19BrN4O/c1-8(5-9-3-2-4-16-9)17-11-7-13-12(6-10(11)15)18-14(20)19-13/h6-9,16-17H,2-5H2,1H3,(H2,18,19,20)
InChIKeyJXISNLZTFIJJDR-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.56
Rot. Bonds4

About 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 79541568) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID79541568
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCC(CC1CCCN1)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C14H19BrN4O/c1-8(5-9-3-2-4-16-9)17-11-7-13-12(6-10(11)15)18-14(20)19-13/h6-9,16-17H,2-5H2,1H3,(H2,18,19,20)
InChIKeyJXISNLZTFIJJDR-UHFFFAOYSA-N
XLogP2.56
TPSA72.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107633006
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 103411701
5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103388874
2-bromo-4-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540045
4-bromo-2-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 81292262
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540891
5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790093
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one (CID 79541568) is 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one is CC(CC1CCCN1)Nc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JXISNLZTFIJJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-8(5-9-3-2-4-16-9)17-11-7-13-12(6-10(11)15)18-14(20)19-13/h6-9,16-17H,2-5H2,1H3,(H2,18,19,20).
What are the key properties of 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 339.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 79541568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).