N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide

C26H25ClN4O2 — CID 55461044

IUPACN-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN4O2/c27-20-14-12-19(13-15-20)25(32)31-23(17-18-7-2-1-3-8-18)26(33)28-16-6-11-24-29-21-9-4-5-10-22(21)30-24/h1-5,7-10,12-15,23H,6,11,16-17H2,(H,28,33)(H,29,30)(H,31,32)
InChIKeyUCIWQXFYIVLYRP-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.31
Rot. Bonds9

About N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide

N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide (PubChem CID 55461044) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
PubChem CID55461044
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC NameN-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NCCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN4O2/c27-20-14-12-19(13-15-20)25(32)31-23(17-18-7-2-1-3-8-18)26(33)28-16-6-11-24-29-21-9-4-5-10-22(21)30-24/h1-5,7-10,12-15,23H,6,11,16-17H2,(H,28,33)(H,29,30)(H,31,32)
InChIKeyUCIWQXFYIVLYRP-UHFFFAOYSA-N
XLogP4.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 17449230
N-[(2S)-1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25339429
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[1-[[4-(4-chloroanilino)-4-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55945210
4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55935379
4-chloro-N-[1-oxo-3-phenyl-1-(prop-2-enylamino)propan-2-yl]benzamide
CID 4882562
(2S)-2-benzamido-4-(1H-benzimidazol-2-yl)butanoic acid
CID 746051
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(4-chlorophenyl)methyl]-2-methylguanidine
CID 111130716
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
CID 112815362
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide (CID 55461044) is N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide is O=C(NC(Cc1ccccc1)C(=O)NCCCc1nc2ccccc2[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide?
The InChIKey is UCIWQXFYIVLYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c27-20-14-12-19(13-15-20)25(32)31-23(17-18-7-2-1-3-8-18)26(33)28-16-6-11-24-29-21-9-4-5-10-22(21)30-24/h1-5,7-10,12-15,23H,6,11,16-17H2,(H,28,33)(H,29,30)(H,31,32).
What are the key properties of N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide?
N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide has a molecular weight of 460.97 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 55461044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).