2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea

C10H12BrN5O — CID 83114870

IUPAC2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea
SMILESNC(=O)NCCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C10H12BrN5O/c11-6-1-2-8-7(5-6)15-9(12)16(8)4-3-14-10(13)17/h1-2,5H,3-4H2,(H2,12,15)(H3,13,14,17)
InChIKeyIQQRZYLTCLDHNU-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.05
Rot. Bonds3

About 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea

2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea (PubChem CID 83114870) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea.

Molecular Properties

Compound Name2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea
PubChem CID83114870
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea
SMILESNC(=O)NCCn1c(N)nc2cc(Br)ccc21
InChIInChI=1S/C10H12BrN5O/c11-6-1-2-8-7(5-6)15-9(12)16(8)4-3-14-10(13)17/h1-2,5H,3-4H2,(H2,12,15)(H3,13,14,17)
InChIKeyIQQRZYLTCLDHNU-UHFFFAOYSA-N
XLogP1.05
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-methoxybenzimidazol-1-yl)ethylurea
CID 83114952
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
N-[2-[5-bromo-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
CID 43667678
5-bromo-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008382
5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-2-amine
CID 106431753
5-bromo-1-[2-(3,5-difluorophenyl)ethyl]benzimidazol-2-amine
CID 62616840
5-bromo-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 63330148
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea
CID 83115048
3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65345248
N-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]acetamide
CID 43667677
3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
CID 84739102
5-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80688565

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea?
The IUPAC name of 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea (CID 83114870) is 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea.
What is the SMILES notation for 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea?
The canonical SMILES for 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea is NC(=O)NCCn1c(N)nc2cc(Br)ccc21.
What is the InChIKey of 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea?
The InChIKey is IQQRZYLTCLDHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c11-6-1-2-8-7(5-6)15-9(12)16(8)4-3-14-10(13)17/h1-2,5H,3-4H2,(H2,12,15)(H3,13,14,17).
What are the key properties of 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea?
2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea has a molecular weight of 298.14 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea is sourced from PubChem (CID 83114870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).