7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine

C13H13ClN4O — CID 106375000

IUPAC7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCCc1cnc(Cn2c(N)nc3cccc(Cl)c32)o1
InChIInChI=1S/C13H13ClN4O/c1-2-8-6-16-11(19-8)7-18-12-9(14)4-3-5-10(12)17-13(18)15/h3-6H,2,7H2,1H3,(H2,15,17)
InChIKeyWPOHLBYCZIRGMH-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.87
Rot. Bonds3

About 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine

7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 106375000) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID106375000
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCCc1cnc(Cn2c(N)nc3cccc(Cl)c32)o1
InChIInChI=1S/C13H13ClN4O/c1-2-8-6-16-11(19-8)7-18-12-9(14)4-3-5-10(12)17-13(18)15/h3-6H,2,7H2,1H3,(H2,15,17)
InChIKeyWPOHLBYCZIRGMH-UHFFFAOYSA-N
XLogP2.87
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106374950
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine
CID 106374976
7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406055
7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 63295616
7-chloro-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
CID 114701188
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375479
7-chloro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406210
7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
CID 102906797
4-[(2-amino-7-chlorobenzimidazol-1-yl)methyl]benzonitrile
CID 62267212
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
CID 91671805

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (CID 106375000) is 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is CCc1cnc(Cn2c(N)nc3cccc(Cl)c32)o1.
What is the InChIKey of 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is WPOHLBYCZIRGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-2-8-6-16-11(19-8)7-18-12-9(14)4-3-5-10(12)17-13(18)15/h3-6H,2,7H2,1H3,(H2,15,17).
What are the key properties of 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 276.73 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 106375000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).