N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C19H29N3O2 — CID 46515927

IUPACN-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NC(C)CCC(C)C)c2ccccc21
InChIInChI=1S/C19H29N3O2/c1-5-12-21-16-8-6-7-9-17(16)22(19(21)24)13-18(23)20-15(4)11-10-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,23)
InChIKeySXRPWLLRCBVQTG-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.15
Rot. Bonds8

About N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 46515927) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID46515927
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NC(C)CCC(C)C)c2ccccc21
InChIInChI=1S/C19H29N3O2/c1-5-12-21-16-8-6-7-9-17(16)22(19(21)24)13-18(23)20-15(4)11-10-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,23)
InChIKeySXRPWLLRCBVQTG-UHFFFAOYSA-N
XLogP3.15
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 47026554
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 51696247
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 46470808
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46522071
(2S)-2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 119360644
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 18130049
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47060824
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 60566374
1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
CID 104751301
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 60518405
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 46515927) is N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)NC(C)CCC(C)C)c2ccccc21.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is SXRPWLLRCBVQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-12-21-16-8-6-7-9-17(16)22(19(21)24)13-18(23)20-15(4)11-10-14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,23).
What are the key properties of N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 46515927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).