4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

C26H25ClN4O2 — CID 55935379

IUPAC4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN4O2/c1-18-29-22-9-5-6-10-24(22)31(18)16-15-28-26(33)23(17-19-7-3-2-4-8-19)30-25(32)20-11-13-21(27)14-12-20/h2-14,23H,15-17H2,1H3,(H,28,33)(H,30,32)/t23-/m0/s1
InChIKeyMTFFVSIIHHXPQG-QHCPKHFHSA-N
MW460.97 g/mol
LogP4.16
Rot. Bonds8

About 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide

4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 55935379) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID55935379
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClN4O2/c1-18-29-22-9-5-6-10-24(22)31(18)16-15-28-26(33)23(17-19-7-3-2-4-8-19)30-25(32)20-11-13-21(27)14-12-20/h2-14,23H,15-17H2,1H3,(H,28,33)(H,30,32)/t23-/m0/s1
InChIKeyMTFFVSIIHHXPQG-QHCPKHFHSA-N
XLogP4.16
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 74618313
N-[4-[2-(2-methylbenzimidazol-1-yl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51221826
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 3739139
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[1-[3-(1H-benzimidazol-2-yl)propylamino]-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55461044
2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775708
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 24516356

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 55935379) is 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is Cc1nc2ccccc2n1CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is MTFFVSIIHHXPQG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c1-18-29-22-9-5-6-10-24(22)31(18)16-15-28-26(33)23(17-19-7-3-2-4-8-19)30-25(32)20-11-13-21(27)14-12-20/h2-14,23H,15-17H2,1H3,(H,28,33)(H,30,32)/t23-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide?
4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 460.97 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 55935379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).