2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

C20H24N4O — CID 2437108

IUPAC2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)Cn2cnc3ccccc32)cc1)C(C)C
InChIInChI=1S/C20H24N4O/c1-4-24(15(2)3)17-11-9-16(10-12-17)22-20(25)13-23-14-21-18-7-5-6-8-19(18)23/h5-12,14-15H,4,13H2,1-3H3,(H,22,25)
InChIKeySSZNDBUXGNFLCD-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.91
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 2437108) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
PubChem CID2437108
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)Cn2cnc3ccccc32)cc1)C(C)C
InChIInChI=1S/C20H24N4O/c1-4-24(15(2)3)17-11-9-16(10-12-17)22-20(25)13-23-14-21-18-7-5-6-8-19(18)23/h5-12,14-15H,4,13H2,1-3H3,(H,22,25)
InChIKeySSZNDBUXGNFLCD-UHFFFAOYSA-N
XLogP3.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 27190120
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 46559572
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508158
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122288252
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324098
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (CID 2437108) is 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is CCN(c1ccc(NC(=O)Cn2cnc3ccccc32)cc1)C(C)C.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The InChIKey is SSZNDBUXGNFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-4-24(15(2)3)17-11-9-16(10-12-17)22-20(25)13-23-14-21-18-7-5-6-8-19(18)23/h5-12,14-15H,4,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 2437108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).