(R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine

C18H22N4O2 — CID 118864227

IUPAC(R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine
SMILESCOc1cc2nc([C@H](N)C3CCCCC3)[nH]c2cc1-c1cnco1
InChIInChI=1S/C18H22N4O2/c1-23-15-8-14-13(7-12(15)16-9-20-10-24-16)21-18(22-14)17(19)11-5-3-2-4-6-11/h7-11,17H,2-6,19H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyRUWGYADAANFYOT-QGZVFWFLSA-N
MW326.40 g/mol
LogP3.81
Rot. Bonds4

About (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine

(R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine (PubChem CID 118864227) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name(R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine
PubChem CID118864227
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine
SMILESCOc1cc2nc([C@H](N)C3CCCCC3)[nH]c2cc1-c1cnco1
InChIInChI=1S/C18H22N4O2/c1-23-15-8-14-13(7-12(15)16-9-20-10-24-16)21-18(22-14)17(19)11-5-3-2-4-6-11/h7-11,17H,2-6,19H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyRUWGYADAANFYOT-QGZVFWFLSA-N
XLogP3.81
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine with MolForge

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Related Compounds

2-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]-4-methylpentan-2-amine
CID 118864273
5-(2,4-dimethoxy-5-propan-2-ylphenyl)-1,3-oxazole
CID 68972183
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 113416030
methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
CID 115926140
(1R)-1-[6-methoxy-5-(1,3-oxazol-5-yl)-3H-indol-2-yl]-3-methylbutan-1-amine
CID 159605676
2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
CID 65023198
cyclohexyl-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 67214797
2-(1-amino-3-methylbutyl)-7-methoxy-6-(1,3-oxazol-5-yl)quinoline-4-carbonitrile
CID 159798809
5-[7-methoxy-4-methyl-2-(3-methylbutyl)quinazolin-6-yl]-1,3-oxazole
CID 121255881
(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
CID 66264286
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol
CID 81432300

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine?
The IUPAC name of (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine (CID 118864227) is (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine.
What is the SMILES notation for (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine?
The canonical SMILES for (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine is COc1cc2nc([C@H](N)C3CCCCC3)[nH]c2cc1-c1cnco1.
What is the InChIKey of (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine?
The InChIKey is RUWGYADAANFYOT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-23-15-8-14-13(7-12(15)16-9-20-10-24-16)21-18(22-14)17(19)11-5-3-2-4-6-11/h7-11,17H,2-6,19H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine?
(R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine has a molecular weight of 326.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[5-methoxy-6-(1,3-oxazol-5-yl)-1H-benzimidazol-2-yl]methanamine is sourced from PubChem (CID 118864227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).