N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

C18H27N3O2 — CID 16995334

IUPACN,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESCCC(C)N(C(=O)Cn1c(CO)nc2ccccc21)C(C)CC
InChIInChI=1S/C18H27N3O2/c1-5-13(3)21(14(4)6-2)18(23)11-20-16-10-8-7-9-15(16)19-17(20)12-22/h7-10,13-14,22H,5-6,11-12H2,1-4H3
InChIKeyBJXQUKYVHGWDJI-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.95
Rot. Bonds7

About N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 16995334) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
PubChem CID16995334
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESCCC(C)N(C(=O)Cn1c(CO)nc2ccccc21)C(C)CC
InChIInChI=1S/C18H27N3O2/c1-5-13(3)21(14(4)6-2)18(23)11-20-16-10-8-7-9-15(16)19-17(20)12-22/h7-10,13-14,22H,5-6,11-12H2,1-4H3
InChIKeyBJXQUKYVHGWDJI-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006928
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007252
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide
CID 16987966
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16976021
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964061
propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984403
2-(4-chlorophenyl)-N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979546
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975559
N-[1-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969456
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985986

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (CID 16995334) is N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is CCC(C)N(C(=O)Cn1c(CO)nc2ccccc21)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is BJXQUKYVHGWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-13(3)21(14(4)6-2)18(23)11-20-16-10-8-7-9-15(16)19-17(20)12-22/h7-10,13-14,22H,5-6,11-12H2,1-4H3.
What are the key properties of N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16995334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).