1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine

C18H22N4O — CID 121375838

IUPAC1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(N)c2nc(C)n(CC3CCC3)c2c1
InChIInChI=1S/C18H22N4O/c1-10-17(11(2)23-21-10)14-7-15(19)18-16(8-14)22(12(3)20-18)9-13-5-4-6-13/h7-8,13H,4-6,9,19H2,1-3H3
InChIKeyBWPRGHMYAIXYSR-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.00
Rot. Bonds3

About 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine

1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine (PubChem CID 121375838) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine
PubChem CID121375838
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(N)c2nc(C)n(CC3CCC3)c2c1
InChIInChI=1S/C18H22N4O/c1-10-17(11(2)23-21-10)14-7-15(19)18-16(8-14)22(12(3)20-18)9-13-5-4-6-13/h7-8,13H,4-6,9,19H2,1-3H3
InChIKeyBWPRGHMYAIXYSR-UHFFFAOYSA-N
XLogP4.00
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(cyclobutylmethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375947
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide
CID 90375163
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-4-amine
CID 177247507
3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
CID 144744385
4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol
CID 134457385
methyl 4-[1-(cyclopentylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]benzoate
CID 118059458
(5S)-5-[1-[(4,4-difluorocyclohexyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-2-yl]pyrrolidin-2-one
CID 134457320
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluoro-4-methylcyclohexyl)methyl]pyrrolo[3,2-b]pyridin-3-yl]phenyl]cyclopropan-1-amine
CID 130278147
[8-carbamoyl-9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-4-yl]methanesulfinic acid
CID 174779670
2-[4-[1-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]phenyl]-2-methylpropanoic acid
CID 118059501
4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane
CID 142331207
7-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-hydroxyphenyl)methyl]-1H-benzimidazol-2-one
CID 121375946

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine?
The IUPAC name of 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine (CID 121375838) is 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine.
What is the SMILES notation for 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine?
The canonical SMILES for 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine is Cc1noc(C)c1-c1cc(N)c2nc(C)n(CC3CCC3)c2c1.
What is the InChIKey of 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine?
The InChIKey is BWPRGHMYAIXYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-10-17(11(2)23-21-10)14-7-15(19)18-16(8-14)22(12(3)20-18)9-13-5-4-6-13/h7-8,13H,4-6,9,19H2,1-3H3.
What are the key properties of 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine?
1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine has a molecular weight of 310.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine is sourced from PubChem (CID 121375838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).