N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide

C20H24N4O — CID 4884614

IUPACN-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
SMILESCCCCNc1nc2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N4O/c1-2-3-13-21-20-23-17-11-7-8-12-18(17)24(20)15-19(25)22-14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,21,23)(H,22,25)
InChIKeyXXGSABKXXPVCRX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.56
Rot. Bonds8

About N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide

N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide (PubChem CID 4884614) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
PubChem CID4884614
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
SMILESCCCCNc1nc2ccccc2n1CC(=O)NCc1ccccc1
InChIInChI=1S/C20H24N4O/c1-2-3-13-21-20-23-17-11-7-8-12-18(17)24(20)15-19(25)22-14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,21,23)(H,22,25)
InChIKeyXXGSABKXXPVCRX-UHFFFAOYSA-N
XLogP3.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzylacetamide
CID 17030984
2-[2-(benzylamino)benzimidazol-1-yl]-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]acetamide
CID 140825038
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
N-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
CID 2850068
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 40511262
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248
N-benzyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 863504
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide (CID 4884614) is N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide is CCCCNc1nc2ccccc2n1CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide?
The InChIKey is XXGSABKXXPVCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-3-13-21-20-23-17-11-7-8-12-18(17)24(20)15-19(25)22-14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide?
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4884614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).