N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide

C23H23N3O2S — CID 7007538

IUPACN-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide
SMILESCSCC[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H23N3O2S/c1-29-15-13-19(25-23(27)21-12-7-14-28-21)22-24-18-10-5-6-11-20(18)26(22)16-17-8-3-2-4-9-17/h2-12,14,19H,13,15-16H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyKLXSKEYXOCVRNC-LJQANCHMSA-N
MW405.52 g/mol
LogP4.90
Rot. Bonds8

About N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide

N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide (PubChem CID 7007538) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide
PubChem CID7007538
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide
SMILESCSCC[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C23H23N3O2S/c1-29-15-13-19(25-23(27)21-12-7-14-28-21)22-24-18-10-5-6-11-20(18)26(22)16-17-8-3-2-4-9-17/h2-12,14,19H,13,15-16H2,1H3,(H,25,27)/t19-/m1/s1
InChIKeyKLXSKEYXOCVRNC-LJQANCHMSA-N
XLogP4.90
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737
N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
CID 41123967
N-[(1R)-1-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
CID 92520574
N-[(1S)-3-methylsulfanyl-1-[1-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzimidazol-2-yl]propyl]benzamide
CID 41123978
N-[(1S)-3-methylsulfanyl-1-[1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzimidazol-2-yl]propyl]benzamide
CID 41123979
N-[1-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973496
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742
N-[(1S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 7007875
N-[(1S)-1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 26864483
1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride
CID 71755974
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide (CID 7007538) is N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide is CSCC[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide?
The InChIKey is KLXSKEYXOCVRNC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-29-15-13-19(25-23(27)21-12-7-14-28-21)22-24-18-10-5-6-11-20(18)26(22)16-17-8-3-2-4-9-17/h2-12,14,19H,13,15-16H2,1H3,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide?
N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropyl]furan-2-carboxamide is sourced from PubChem (CID 7007538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).