(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide

C23H23N5O2S — CID 41118790

IUPAC(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H23N5O2S/c1-14(21(29)24-15-11-12-17-19(13-15)26-22(30)25-17)31-23-27-18-9-5-6-10-20(18)28(23)16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,24,29)(H2,25,26,30)/t14-/m0/s1
InChIKeyMQOMXRMFRYPSGF-AWEZNQCLSA-N
MW433.54 g/mol
LogP4.04
Rot. Bonds5

About (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide

(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide (PubChem CID 41118790) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide
PubChem CID41118790
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide
SMILESC[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C23H23N5O2S/c1-14(21(29)24-15-11-12-17-19(13-15)26-22(30)25-17)31-23-27-18-9-5-6-10-20(18)28(23)16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,24,29)(H2,25,26,30)/t14-/m0/s1
InChIKeyMQOMXRMFRYPSGF-AWEZNQCLSA-N
XLogP4.04
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide (CID 41118790) is (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide is C[C@H](Sc1nc2c(n1-c1ccccc1)CCCC2)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide?
The InChIKey is MQOMXRMFRYPSGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-14(21(29)24-15-11-12-17-19(13-15)26-22(30)25-17)31-23-27-18-9-5-6-10-20(18)28(23)16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10H2,1H3,(H,24,29)(H2,25,26,30)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide?
(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide has a molecular weight of 433.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 41118790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).