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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 71935646
(3S)-N-(5-chloro-1-methylbenzimidazol-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 52519571
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685916
N-(5-cyano-1-methylbenzimidazol-2-yl)cyclopropanecarboxamide
CID 166260961
(2R)-N-(1-methylbenzimidazol-2-yl)oxolane-2-carboxamide
CID 35280653
N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]acetamide
CID 146142178
N-(5-chloro-1-methylbenzimidazol-2-yl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 71882719
N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-3-carboxamide
CID 51099324
5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 52793296
N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 86868766
(2R)-N-(5-chloro-1-methylbenzimidazol-2-yl)-2-propylsulfonylpropanamide
CID 95047950
methyl 2-(5-chloro-1-methylbenzimidazol-2-yl)-2-cyclopentylacetate
CID 115926131

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).