N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide

C15H18ClN3O2 — CID 146128556

IUPACN-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide
SMILESCn1c(NC(=O)C2CCC(C)(C)O2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H18ClN3O2/c1-15(2)7-6-12(21-15)13(20)18-14-17-10-8-9(16)4-5-11(10)19(14)3/h4-5,8,12H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyRVNXDZDWDZUBNW-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.12
Rot. Bonds2

About N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide

N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide (PubChem CID 146128556) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide
PubChem CID146128556
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide
SMILESCn1c(NC(=O)C2CCC(C)(C)O2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H18ClN3O2/c1-15(2)7-6-12(21-15)13(20)18-14-17-10-8-9(16)4-5-11(10)19(14)3/h4-5,8,12H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyRVNXDZDWDZUBNW-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide (CID 146128556) is N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide is Cn1c(NC(=O)C2CCC(C)(C)O2)nc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide?
The InChIKey is RVNXDZDWDZUBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-15(2)7-6-12(21-15)13(20)18-14-17-10-8-9(16)4-5-11(10)19(14)3/h4-5,8,12H,6-7H2,1-3H3,(H,17,18,20).
What are the key properties of N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide?
N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methylbenzimidazol-2-yl)-5,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 146128556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).