1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine

C14H16N4O2 — CID 106374976

IUPAC1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine
SMILESCCc1cnc(Cn2c(N)nc3c(OC)cccc32)o1
InChIInChI=1S/C14H16N4O2/c1-3-9-7-16-12(20-9)8-18-10-5-4-6-11(19-2)13(10)17-14(18)15/h4-7H,3,8H2,1-2H3,(H2,15,17)
InChIKeyDYGVRUZSQVLHNE-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.23
Rot. Bonds4

About 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine

1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine (PubChem CID 106374976) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine
PubChem CID106374976
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine
SMILESCCc1cnc(Cn2c(N)nc3c(OC)cccc32)o1
InChIInChI=1S/C14H16N4O2/c1-3-9-7-16-12(20-9)8-18-10-5-4-6-11(19-2)13(10)17-14(18)15/h4-7H,3,8H2,1-2H3,(H2,15,17)
InChIKeyDYGVRUZSQVLHNE-UHFFFAOYSA-N
XLogP2.23
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine 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

7-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375000
5,6-dichloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106374950
4-methoxy-1-[(3-methyl-4-pyridinyl)methyl]benzimidazol-2-amine
CID 114701193
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991
2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
CID 106375028
3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-7-fluoro-1H-benzimidazole-2-thione
CID 106374675
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 106375479
2-[[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375657
1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-amine
CID 2984464
2-amino-1-[(2-methoxyphenyl)methyl]benzimidazole-4-carbonitrile
CID 104718630
1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 106406074

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine?
The IUPAC name of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine (CID 106374976) is 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine is CCc1cnc(Cn2c(N)nc3c(OC)cccc32)o1.
What is the InChIKey of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine?
The InChIKey is DYGVRUZSQVLHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-9-7-16-12(20-9)8-18-10-5-4-6-11(19-2)13(10)17-14(18)15/h4-7H,3,8H2,1-2H3,(H2,15,17).
What are the key properties of 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine?
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine has a molecular weight of 272.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methoxybenzimidazol-2-amine is sourced from PubChem (CID 106374976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).