N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide

C24H29ClN4O2 — CID 55812418

IUPACN-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
SMILESCCC(C)C(NC(=O)C(NC(=O)c1ccccc1Cl)C(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H29ClN4O2/c1-5-15(4)21(22-26-18-12-8-9-13-19(18)27-22)29-24(31)20(14(2)3)28-23(30)16-10-6-7-11-17(16)25/h6-15,20-21H,5H2,1-4H3,(H,26,27)(H,28,30)(H,29,31)
InChIKeyOBHXJCDWSDPYAK-UHFFFAOYSA-N
MW440.98 g/mol
LogP4.87
Rot. Bonds8

About N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide

N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide (PubChem CID 55812418) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
PubChem CID55812418
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC NameN-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
SMILESCCC(C)C(NC(=O)C(NC(=O)c1ccccc1Cl)C(C)C)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H29ClN4O2/c1-5-15(4)21(22-26-18-12-8-9-13-19(18)27-22)29-24(31)20(14(2)3)28-23(30)16-10-6-7-11-17(16)25/h6-15,20-21H,5H2,1-4H3,(H,26,27)(H,28,30)(H,29,31)
InChIKeyOBHXJCDWSDPYAK-UHFFFAOYSA-N
XLogP4.87
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2,3-dichlorobenzamide
CID 55862922
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide
CID 55812514
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-5-fluoro-2-methoxybenzamide
CID 55876309
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 94613930
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
2-chloro-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 74645893
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide?
The IUPAC name of N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide (CID 55812418) is N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide?
The canonical SMILES for N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide is CCC(C)C(NC(=O)C(NC(=O)c1ccccc1Cl)C(C)C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide?
The InChIKey is OBHXJCDWSDPYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-5-15(4)21(22-26-18-12-8-9-13-19(18)27-22)29-24(31)20(14(2)3)28-23(30)16-10-6-7-11-17(16)25/h6-15,20-21H,5H2,1-4H3,(H,26,27)(H,28,30)(H,29,31).
What are the key properties of N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide?
N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide has a molecular weight of 440.98 g/mol, XLogP of 4.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide is sourced from PubChem (CID 55812418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).