N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide

C29H43N5O2 — CID 143244214

IUPACN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3cc4c(n3C)CCC=C4)C2)N=C1N
InChIInChI=1S/C29H43N5O2/c1-33-24-14-7-6-12-22(24)18-25(33)26(35)31-23-13-8-11-21(17-23)19-29(27(36)34(2)28(30)32-29)16-15-20-9-4-3-5-10-20/h6,12,18,20-21,23H,3-5,7-11,13-17,19H2,1-2H3,(H2,30,32)(H,31,35)/t21-,23+,29+/m0/s1
InChIKeyIPDIMLCEDYIHEP-WMEWVQGBSA-N
MW493.70 g/mol
LogP4.55
Rot. Bonds7

About N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide

N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide (PubChem CID 143244214) has the molecular formula C29H43N5O2 and a molecular weight of 493.70 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide
PubChem CID143244214
Molecular FormulaC29H43N5O2
Molecular Weight493.70 g/mol
Exact Mass493.34
IUPAC NameN-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3cc4c(n3C)CCC=C4)C2)N=C1N
InChIInChI=1S/C29H43N5O2/c1-33-24-14-7-6-12-22(24)18-25(33)26(35)31-23-13-8-11-21(17-23)19-29(27(36)34(2)28(30)32-29)16-15-20-9-4-3-5-10-20/h6,12,18,20-21,23H,3-5,7-11,13-17,19H2,1-2H3,(H2,30,32)(H,31,35)/t21-,23+,29+/m0/s1
InChIKeyIPDIMLCEDYIHEP-WMEWVQGBSA-N
XLogP4.55
TPSA92.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.70
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide?
The IUPAC name of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide (CID 143244214) is N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3cc4c(n3C)CCC=C4)C2)N=C1N.
What is the InChIKey of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide?
The InChIKey is IPDIMLCEDYIHEP-WMEWVQGBSA-N. The full InChI is InChI=1S/C29H43N5O2/c1-33-24-14-7-6-12-22(24)18-25(33)26(35)31-23-13-8-11-21(17-23)19-29(27(36)34(2)28(30)32-29)16-15-20-9-4-3-5-10-20/h6,12,18,20-21,23H,3-5,7-11,13-17,19H2,1-2H3,(H2,30,32)(H,31,35)/t21-,23+,29+/m0/s1.
What are the key properties of N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide?
N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide has a molecular weight of 493.70 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-1-methyl-6,7-dihydroindole-2-carboxamide is sourced from PubChem (CID 143244214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).