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

C13H18BrN3O — CID 43790093

IUPAC5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCCCCC(C)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H18BrN3O/c1-3-4-5-8(2)15-10-7-12-11(6-9(10)14)16-13(18)17-12/h6-8,15H,3-5H2,1-2H3,(H2,16,17,18)
InChIKeyAVHZTEFTJAZZSH-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.61
Rot. Bonds5

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

5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one (PubChem CID 43790093) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
PubChem CID43790093
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
SMILESCCCCC(C)Nc1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H18BrN3O/c1-3-4-5-8(2)15-10-7-12-11(6-9(10)14)16-13(18)17-12/h6-8,15H,3-5H2,1-2H3,(H2,16,17,18)
InChIKeyAVHZTEFTJAZZSH-UHFFFAOYSA-N
XLogP3.61
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-aminopropan-2-ylamino)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103388874
5-bromo-6-(heptylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741354
5-bromo-6-(2,6-dimethylheptan-4-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 43741294
5-bromo-6-(1-hydroxyhexyl)-1,3-dihydrobenzimidazol-2-one
CID 55068890
5-bromo-6-(1-bromo-2-ethylhexyl)-1,3-dihydrobenzimidazol-2-one
CID 63447948
5-bromo-6-(1-pyrrolidin-2-ylpropan-2-ylamino)-1,3-dihydrobenzimidazol-2-one
CID 79541568
2-amino-4-bromo-5-(heptan-2-ylamino)benzoic acid
CID 114278291
5-bromo-6-(1-hydroxy-2-methylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 62374571
5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one
CID 63447855
5-bromo-6-(1-cyclohexylethylamino)-1,3-dihydrobenzimidazol-2-one
CID 43790096
6-amino-5-(hexan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113307409
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one (CID 43790093) is 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one is CCCCC(C)Nc1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AVHZTEFTJAZZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-3-4-5-8(2)15-10-7-12-11(6-9(10)14)16-13(18)17-12/h6-8,15H,3-5H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 312.21 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(hexan-2-ylamino)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43790093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).