propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate

C22H26N2O2 — CID 4915212

IUPACpropan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate
SMILESCc1cc2nc(-c3cccc(C(=O)OC(C)C)c3)n(C(C)C)c2cc1C
InChIInChI=1S/C22H26N2O2/c1-13(2)24-20-11-16(6)15(5)10-19(20)23-21(24)17-8-7-9-18(12-17)22(25)26-14(3)4/h7-14H,1-6H3
InChIKeyOGPBSRVADZZAEP-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.47
Rot. Bonds4

About propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate

propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate (PubChem CID 4915212) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate
PubChem CID4915212
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namepropan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate
SMILESCc1cc2nc(-c3cccc(C(=O)OC(C)C)c3)n(C(C)C)c2cc1C
InChIInChI=1S/C22H26N2O2/c1-13(2)24-20-11-16(6)15(5)10-19(20)23-21(24)17-8-7-9-18(12-17)22(25)26-14(3)4/h7-14H,1-6H3
InChIKeyOGPBSRVADZZAEP-UHFFFAOYSA-N
XLogP5.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915206
2-[3-(difluoromethyl)phenyl]-6-methyl-1-propan-2-ylbenzimidazol-5-amine
CID 138710249
propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
propan-2-yl 3-(2H-tetrazol-5-yl)benzoate
CID 7130725
propan-2-yl 2-methyl-1,3-benzothiazole-5-carboxylate
CID 135395328
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142151
propan-2-yl 3-(2-amino-1,3-oxazol-5-yl)benzoate
CID 133063716
(4-phenylphenyl) 3-(1-methylbenzimidazol-2-yl)benzoate
CID 20556662
propan-2-yl 3-[2-(cyanomethyl)tetrazol-5-yl]benzoate
CID 47119752
3-(1-propan-2-ylbenzimidazol-2-yl)aniline
CID 4605444
methyl 3-[5-[(Z)-[3-methyl-5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrazol-4-ylidene]methyl]furan-2-yl]benzoate
CID 5433387

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate?
The IUPAC name of propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate (CID 4915212) is propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate.
What is the SMILES notation for propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate?
The canonical SMILES for propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate is Cc1cc2nc(-c3cccc(C(=O)OC(C)C)c3)n(C(C)C)c2cc1C.
What is the InChIKey of propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate?
The InChIKey is OGPBSRVADZZAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-13(2)24-20-11-16(6)15(5)10-19(20)23-21(24)17-8-7-9-18(12-17)22(25)26-14(3)4/h7-14H,1-6H3.
What are the key properties of propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate?
propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate has a molecular weight of 350.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)benzoate is sourced from PubChem (CID 4915212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).