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

C13H14N4O — CID 106544922

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1cnc(C(C)Nc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C13H14N4O/c1-8-7-14-12(18-8)9(2)15-13-16-10-5-3-4-6-11(10)17-13/h3-7,9H,1-2H3,(H2,15,16,17)
InChIKeyVKMCBVQXWCAEKU-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.03
Rot. Bonds3

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 106544922) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine
PubChem CID106544922
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1cnc(C(C)Nc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C13H14N4O/c1-8-7-14-12(18-8)9(2)15-13-16-10-5-3-4-6-11(10)17-13/h3-7,9H,1-2H3,(H2,15,16,17)
InChIKeyVKMCBVQXWCAEKU-UHFFFAOYSA-N
XLogP3.03
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 61038634
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 112547613
N-(1-pyridin-2-ylethyl)-1H-benzimidazol-2-amine
CID 60724163
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-benzimidazol-2-amine
CID 106282981
(2S)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541903
(2R)-2-(1H-benzimidazol-2-ylamino)propanoic acid
CID 54541904
1-(5-methyl-1,3-oxazol-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 106388068
1-(2-chlorophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893469
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105
N-[1-(3-chlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 60724213
N-[1-(2,4-dichlorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 63535929
2-N-(1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 65191883

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine (CID 106544922) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine is Cc1cnc(C(C)Nc2nc3ccccc3[nH]2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is VKMCBVQXWCAEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-7-14-12(18-8)9(2)15-13-16-10-5-3-4-6-11(10)17-13/h3-7,9H,1-2H3,(H2,15,16,17).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 242.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 106544922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).