N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

C27H36N4O2 — CID 16976021

IUPACN-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCCC(C)N(C(=O)Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21)C(C)CC
InChIInChI=1S/C27H36N4O2/c1-6-20(4)31(21(5)7-2)26(32)18-30-24-15-11-10-14-23(24)29-25(30)16-17-28-27(33)22-13-9-8-12-19(22)3/h8-15,20-21H,6-7,16-18H2,1-5H3,(H,28,33)
InChIKeyUMNFUHHJKADAKR-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.74
Rot. Bonds10

About N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide

N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (PubChem CID 16976021) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
PubChem CID16976021
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
SMILESCCC(C)N(C(=O)Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21)C(C)CC
InChIInChI=1S/C27H36N4O2/c1-6-20(4)31(21(5)7-2)26(32)18-30-24-15-11-10-14-23(24)29-25(30)16-17-28-27(33)22-13-9-8-12-19(22)3/h8-15,20-21H,6-7,16-18H2,1-5H3,(H,28,33)
InChIKeyUMNFUHHJKADAKR-UHFFFAOYSA-N
XLogP4.74
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006928
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975559
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982471
N-[3-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984403
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982475
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(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976311
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-di(butan-2-yl)acetamide
CID 16987966
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 16995334
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989568

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide (CID 16976021) is N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is CCC(C)N(C(=O)Cn1c(CCNC(=O)c2ccccc2C)nc2ccccc21)C(C)CC.
What is the InChIKey of N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is UMNFUHHJKADAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-6-20(4)31(21(5)7-2)26(32)18-30-24-15-11-10-14-23(24)29-25(30)16-17-28-27(33)22-13-9-8-12-19(22)3/h8-15,20-21H,6-7,16-18H2,1-5H3,(H,28,33).
What are the key properties of N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide?
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide has a molecular weight of 448.61 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 16976021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).