N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide

C14H18ClN3O2 — CID 136532232

IUPACN-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide
SMILESCOC(C(=O)Nc1nc2c(Cl)cccc2n1C)C(C)C
InChIInChI=1S/C14H18ClN3O2/c1-8(2)12(20-4)13(19)17-14-16-11-9(15)6-5-7-10(11)18(14)3/h5-8,12H,1-4H3,(H,16,17,19)
InChIKeyBVXJJBIYHHXEHW-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.84
Rot. Bonds4

About N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide

N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide (PubChem CID 136532232) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide
PubChem CID136532232
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide
SMILESCOC(C(=O)Nc1nc2c(Cl)cccc2n1C)C(C)C
InChIInChI=1S/C14H18ClN3O2/c1-8(2)12(20-4)13(19)17-14-16-11-9(15)6-5-7-10(11)18(14)3/h5-8,12H,1-4H3,(H,16,17,19)
InChIKeyBVXJJBIYHHXEHW-UHFFFAOYSA-N
XLogP2.84
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide?
The IUPAC name of N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide (CID 136532232) is N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide?
The canonical SMILES for N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide is COC(C(=O)Nc1nc2c(Cl)cccc2n1C)C(C)C.
What is the InChIKey of N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide?
The InChIKey is BVXJJBIYHHXEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-8(2)12(20-4)13(19)17-14-16-11-9(15)6-5-7-10(11)18(14)3/h5-8,12H,1-4H3,(H,16,17,19).
What are the key properties of N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide?
N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide has a molecular weight of 295.77 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methylbenzimidazol-2-yl)-2-methoxy-3-methylbutanamide is sourced from PubChem (CID 136532232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).