2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide

C15H20ClN3O — CID 1448986

IUPAC2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1c(Cl)nc2ccccc21)C(C)C
InChIInChI=1S/C15H20ClN3O/c1-10(2)19(11(3)4)14(20)9-18-13-8-6-5-7-12(13)17-15(18)16/h5-8,10-11H,9H2,1-4H3
InChIKeyIVJYTDXLYQNLJE-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.34
Rot. Bonds4

About 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide

2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide (PubChem CID 1448986) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
PubChem CID1448986
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1c(Cl)nc2ccccc21)C(C)C
InChIInChI=1S/C15H20ClN3O/c1-10(2)19(11(3)4)14(20)9-18-13-8-6-5-7-12(13)17-15(18)16/h5-8,10-11H,9H2,1-4H3
InChIKeyIVJYTDXLYQNLJE-UHFFFAOYSA-N
XLogP3.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472
4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009109
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969907
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16969282
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007857
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 16995334
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981079
(Z)-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970879
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16998038
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986828
3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010377
N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992477

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide (CID 1448986) is 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1c(Cl)nc2ccccc21)C(C)C.
What is the InChIKey of 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide?
The InChIKey is IVJYTDXLYQNLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-10(2)19(11(3)4)14(20)9-18-13-8-6-5-7-12(13)17-15(18)16/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide?
2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide has a molecular weight of 293.80 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 1448986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).