1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol

C18H17N3O2 — CID 67497945

IUPAC1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol
SMILESCc1nc2cc(-c3nc4ccccc4o3)ccc2n1CC(C)O
InChIInChI=1S/C18H17N3O2/c1-11(22)10-21-12(2)19-15-9-13(7-8-16(15)21)18-20-14-5-3-4-6-17(14)23-18/h3-9,11,22H,10H2,1-2H3
InChIKeyAEISCKABQAVAMK-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.53
Rot. Bonds3

About 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol

1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol (PubChem CID 67497945) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol
PubChem CID67497945
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol
SMILESCc1nc2cc(-c3nc4ccccc4o3)ccc2n1CC(C)O
InChIInChI=1S/C18H17N3O2/c1-11(22)10-21-12(2)19-15-9-13(7-8-16(15)21)18-20-14-5-3-4-6-17(14)23-18/h3-9,11,22H,10H2,1-2H3
InChIKeyAEISCKABQAVAMK-UHFFFAOYSA-N
XLogP3.53
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]acetic acid
CID 67498083
2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole
CID 67498092
2-[2-methyl-1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole
CID 67498868
[1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]-2-phenylethyl] acetate
CID 67497548
1-[4-(1,3-benzoxazol-2-yl)-2-fluorophenyl]ethanol
CID 21413794
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
4-(1,3-benzoxazol-2-yl)-1-N-tert-butylbenzene-1,2-diamine;2-(1-tert-butyl-2-methylbenzimidazol-5-yl)-1,3-benzoxazole
CID 160952914
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-[6-(1,3-benzoxazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzoxazole
CID 155366230
[6-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl] methanesulfonate
CID 141280552
(2R)-1-[4-[3-(1,3-benzoxazol-2-yl)propyl]piperazin-1-yl]propan-2-ol
CID 95309136

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol (CID 67497945) is 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol is Cc1nc2cc(-c3nc4ccccc4o3)ccc2n1CC(C)O.
What is the InChIKey of 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol?
The InChIKey is AEISCKABQAVAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11(22)10-21-12(2)19-15-9-13(7-8-16(15)21)18-20-14-5-3-4-6-17(14)23-18/h3-9,11,22H,10H2,1-2H3.
What are the key properties of 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol?
1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol has a molecular weight of 307.35 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 67497945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).