[1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid

C16H23N3O2 — CID 67258730

IUPAC[1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCCn1c(C(NC(=O)O)C(C)(C)C)nc2ccc(C)cc21
InChIInChI=1S/C16H23N3O2/c1-6-19-12-9-10(2)7-8-11(12)17-14(19)13(16(3,4)5)18-15(20)21/h7-9,13,18H,6H2,1-5H3,(H,20,21)
InChIKeyHAMFZZZLJOLXSB-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.72
Rot. Bonds3

About [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid

[1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid (PubChem CID 67258730) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid
PubChem CID67258730
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid
SMILESCCn1c(C(NC(=O)O)C(C)(C)C)nc2ccc(C)cc21
InChIInChI=1S/C16H23N3O2/c1-6-19-12-9-10(2)7-8-11(12)17-14(19)13(16(3,4)5)18-15(20)21/h7-9,13,18H,6H2,1-5H3,(H,20,21)
InChIKeyHAMFZZZLJOLXSB-UHFFFAOYSA-N
XLogP3.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid?
The IUPAC name of [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid (CID 67258730) is [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid.
What is the SMILES notation for [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid?
The canonical SMILES for [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid is CCn1c(C(NC(=O)O)C(C)(C)C)nc2ccc(C)cc21.
What is the InChIKey of [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid?
The InChIKey is HAMFZZZLJOLXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-6-19-12-9-10(2)7-8-11(12)17-14(19)13(16(3,4)5)18-15(20)21/h7-9,13,18H,6H2,1-5H3,(H,20,21).
What are the key properties of [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid?
[1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid has a molecular weight of 289.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid is sourced from PubChem (CID 67258730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).