1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine

C18H16N4O — CID 155524090

IUPAC1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3ncco3)nc3ccccc32)cc1
InChIInChI=1S/C18H16N4O/c1-2-6-14(7-3-1)13-22-16-9-5-4-8-15(16)21-18(22)20-12-17-19-10-11-23-17/h1-11H,12-13H2,(H,20,21)
InChIKeyLMTUAOSCQCWVMG-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.68
Rot. Bonds5

About 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine

1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine (PubChem CID 155524090) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine
PubChem CID155524090
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine
SMILESc1ccc(Cn2c(NCc3ncco3)nc3ccccc32)cc1
InChIInChI=1S/C18H16N4O/c1-2-6-14(7-3-1)13-22-16-9-5-4-8-15(16)21-18(22)20-12-17-19-10-11-23-17/h1-11H,12-13H2,(H,20,21)
InChIKeyLMTUAOSCQCWVMG-UHFFFAOYSA-N
XLogP3.68
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-oxazole-2-carboxamide
CID 25190514
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 44577212
N-(4-chlorophenyl)-2-(2-oxazol-2-ylbenzimidazol-1-yl)acetamide
CID 57401825
4-N-(1,3-oxazol-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334990
4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335021
4-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335025
N,N-diethyl-5-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
CID 137550025
N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
CID 137550310
2-((4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidin-1-yl)methyl)oxazole
CID 44573252
2-[[3-[1-[(4-Fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 57397055
p38 Kinase inhibitor 7
CID 11338778
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 49830403

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine (CID 155524090) is 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine is c1ccc(Cn2c(NCc3ncco3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is LMTUAOSCQCWVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-2-6-14(7-3-1)13-22-16-9-5-4-8-15(16)21-18(22)20-12-17-19-10-11-23-17/h1-11H,12-13H2,(H,20,21).
What are the key properties of 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine?
1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 304.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,3-oxazol-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 155524090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).