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

C13H14N4O — CID 106375037

IUPAC5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2Cc1ncc(C)o1
InChIInChI=1S/C13H14N4O/c1-8-3-4-11-10(5-8)16-13(14)17(11)7-12-15-6-9(2)18-12/h3-6H,7H2,1-2H3,(H2,14,16)
InChIKeyTYTQSMLAUBXTQA-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.27
Rot. Bonds2

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

5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 106375037) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID106375037
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2Cc1ncc(C)o1
InChIInChI=1S/C13H14N4O/c1-8-3-4-11-10(5-8)16-13(14)17(11)7-12-15-6-9(2)18-12/h3-6H,7H2,1-2H3,(H2,14,16)
InChIKeyTYTQSMLAUBXTQA-UHFFFAOYSA-N
XLogP2.27
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375048
5-methyl-1-[(2-methylphenyl)methyl]benzimidazol-2-amine
CID 54944327
1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine
CID 104763156
1-(2-aminoethyl)-5-methylbenzimidazol-2-amine
CID 84771588
2-[[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375758
2-[[2-(2-chloroethyl)-5-methoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375633
2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
CID 106375028
5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106374950
5-methyl-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 43661563
5-methyl-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
CID 54951144
1-(cyclopentylmethyl)-5-methylbenzimidazol-2-amine
CID 43662072
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (CID 106375037) is 5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2Cc1ncc(C)o1.
What is the InChIKey of 5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is TYTQSMLAUBXTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-3-4-11-10(5-8)16-13(14)17(11)7-12-15-6-9(2)18-12/h3-6H,7H2,1-2H3,(H2,14,16).
What are the key properties of 5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 242.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 106375037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).