N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide

C26H34N4O2S — CID 41123967

IUPACN-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
SMILESCSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C26H34N4O2S/c1-18(2)30(19(3)4)24(31)17-29-23-14-10-9-13-21(23)27-25(29)22(15-16-33-5)28-26(32)20-11-7-6-8-12-20/h6-14,18-19,22H,15-17H2,1-5H3,(H,28,32)/t22-/m1/s1
InChIKeyRPXBXSJTYJWGPB-JOCHJYFZSA-N
MW466.65 g/mol
LogP4.91
Rot. Bonds10

About N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide

N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide (PubChem CID 41123967) has the molecular formula C26H34N4O2S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
PubChem CID41123967
Molecular FormulaC26H34N4O2S
Molecular Weight466.65 g/mol
Exact Mass466.24
IUPAC NameN-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
SMILESCSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C26H34N4O2S/c1-18(2)30(19(3)4)24(31)17-29-23-14-10-9-13-21(23)27-25(29)22(15-16-33-5)28-26(32)20-11-7-6-8-12-20/h6-14,18-19,22H,15-17H2,1-5H3,(H,28,32)/t22-/m1/s1
InChIKeyRPXBXSJTYJWGPB-JOCHJYFZSA-N
XLogP4.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.65
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-3-methylsulfanyl-1-[1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzimidazol-2-yl]propyl]benzamide
CID 41123979
N-[(1S)-3-methylsulfanyl-1-[1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzimidazol-2-yl]propyl]benzamide
CID 41123978
N-[(1R)-1-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
CID 92520574
3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010377
N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide
CID 7007538
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16969282
N-[1-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 3949916
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 1448986
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide?
The IUPAC name of N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide (CID 41123967) is N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide?
The canonical SMILES for N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide is CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide?
The InChIKey is RPXBXSJTYJWGPB-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H34N4O2S/c1-18(2)30(19(3)4)24(31)17-29-23-14-10-9-13-21(23)27-25(29)22(15-16-33-5)28-26(32)20-11-7-6-8-12-20/h6-14,18-19,22H,15-17H2,1-5H3,(H,28,32)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide?
N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide has a molecular weight of 466.65 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide is sourced from PubChem (CID 41123967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).