2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole

C19H17N3O — CID 67498092

IUPAC2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3nc4ccccc4o3)ccc2n1CC1CC1
InChIInChI=1S/C19H17N3O/c1-12-20-16-10-14(8-9-17(16)22(12)11-13-6-7-13)19-21-15-4-2-3-5-18(15)23-19/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyVSLKSGZKBHSNJD-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.56
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole

2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole (PubChem CID 67498092) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole
PubChem CID67498092
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole
SMILESCc1nc2cc(-c3nc4ccccc4o3)ccc2n1CC1CC1
InChIInChI=1S/C19H17N3O/c1-12-20-16-10-14(8-9-17(16)22(12)11-13-6-7-13)19-21-15-4-2-3-5-18(15)23-19/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyVSLKSGZKBHSNJD-UHFFFAOYSA-N
XLogP4.56
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]acetic acid
CID 67498083
1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]propan-2-ol
CID 67497945
2-[2-methyl-1-(3,3,3-trifluoropropyl)benzimidazol-5-yl]-1,3-benzoxazole
CID 67498868
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
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-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
[1-[5-(1,3-benzoxazol-2-yl)-2-methylbenzimidazol-1-yl]-2-phenylethyl] acetate
CID 67497548
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole (CID 67498092) is 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole is Cc1nc2cc(-c3nc4ccccc4o3)ccc2n1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole?
The InChIKey is VSLKSGZKBHSNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-20-16-10-14(8-9-17(16)22(12)11-13-6-7-13)19-21-15-4-2-3-5-18(15)23-19/h2-5,8-10,13H,6-7,11H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole?
2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole has a molecular weight of 303.37 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-2-methylbenzimidazol-5-yl]-1,3-benzoxazole is sourced from PubChem (CID 67498092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).