4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide

C22H28N4O — CID 18150595

IUPAC4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(CCNC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(C)C
InChIInChI=1S/C22H28N4O/c1-16(2)25(17(3)4)14-13-23-22(27)18-9-11-19(12-10-18)26-15-24-20-7-5-6-8-21(20)26/h5-12,15-17H,13-14H2,1-4H3,(H,23,27)
InChIKeyZQEVUPWSBYZMLK-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.87
Rot. Bonds7

About 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide

4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide (PubChem CID 18150595) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
PubChem CID18150595
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
SMILESCC(C)N(CCNC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(C)C
InChIInChI=1S/C22H28N4O/c1-16(2)25(17(3)4)14-13-23-22(27)18-9-11-19(12-10-18)26-15-24-20-7-5-6-8-21(20)26/h5-12,15-17H,13-14H2,1-4H3,(H,23,27)
InChIKeyZQEVUPWSBYZMLK-UHFFFAOYSA-N
XLogP3.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
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4-(benzimidazol-1-yl)-N-[(2S)-pentan-2-yl]benzamide
CID 30332300
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
4-(benzimidazol-1-yl)-N-(1-hydroxybutan-2-yl)benzamide
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N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 24600085
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
4-(benzimidazol-1-yl)-N-cyclopentylbenzamide
CID 22110686
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120948973
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4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide (CID 18150595) is 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide is CC(C)N(CCNC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(C)C.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is ZQEVUPWSBYZMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16(2)25(17(3)4)14-13-23-22(27)18-9-11-19(12-10-18)26-15-24-20-7-5-6-8-21(20)26/h5-12,15-17H,13-14H2,1-4H3,(H,23,27).
What are the key properties of 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide?
4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 18150595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).