4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide

C21H25N3O2 — CID 110420411

IUPAC4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
SMILESCc1ccccc1CCCC(=O)NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-16-8-2-3-9-17(16)10-6-13-20(25)22-14-7-15-24-19-12-5-4-11-18(19)23-21(24)26/h2-5,8-9,11-12H,6-7,10,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyXMPCAOUDVATSKI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.17
Rot. Bonds8

About 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide

4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide (PubChem CID 110420411) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
PubChem CID110420411
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
SMILESCc1ccccc1CCCC(=O)NCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-16-8-2-3-9-17(16)10-6-13-20(25)22-14-7-15-24-19-12-5-4-11-18(19)23-21(24)26/h2-5,8-9,11-12H,6-7,10,13-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyXMPCAOUDVATSKI-UHFFFAOYSA-N
XLogP3.17
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylphenyl)-4-oxo-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110611000
3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110419764
3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110610959
2-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]acetamide
CID 110419711
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383
4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide
CID 110420297
5-(4-fluorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pentanamide
CID 110617564
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
3-(4-chlorophenyl)-3-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110617647
3-(4-fluorophenyl)-4-methyl-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pentanamide
CID 110420339
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110400789

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide?
The IUPAC name of 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide (CID 110420411) is 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide?
The canonical SMILES for 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide is Cc1ccccc1CCCC(=O)NCCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide?
The InChIKey is XMPCAOUDVATSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-2-3-9-17(16)10-6-13-20(25)22-14-7-15-24-19-12-5-4-11-18(19)23-21(24)26/h2-5,8-9,11-12H,6-7,10,13-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide?
4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide has a molecular weight of 351.45 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide is sourced from PubChem (CID 110420411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).