4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide

C39H40N10O3 — CID 99680015

IUPAC4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide
SMILESC[C@@H]1CN=C(c2ccc(NC(=O)Nc3cc(C(=O)Nc4ccc(C5=NC[C@@H](C)N5)cc4)ccc3C(=O)Nc3ccc(C4=NC[C@H](C)N4)cc3)cc2)N1
InChIInChI=1S/C39H40N10O3/c1-22-19-40-34(43-22)25-4-11-29(12-5-25)46-37(50)28-10-17-32(38(51)47-30-13-6-26(7-14-30)35-41-20-23(2)44-35)33(18-28)49-39(52)48-31-15-8-27(9-16-31)36-42-21-24(3)45-36/h4-18,22-24H,19-21H2,1-3H3,(H,40,43)(H,41,44)(H,42,45)(H,46,50)(H,47,51)(H2,48,49,52)/t22-,23+,24-/m1/s1
InChIKeyFTORKBHJPPBWSE-TZRRMPRUSA-N
MW696.82 g/mol
LogP5.05
Rot. Bonds9

About 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide

4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide (PubChem CID 99680015) has the molecular formula C39H40N10O3 and a molecular weight of 696.82 g/mol. Its IUPAC name is 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide
PubChem CID99680015
Molecular FormulaC39H40N10O3
Molecular Weight696.82 g/mol
Exact Mass696.33
IUPAC Name4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide
SMILESC[C@@H]1CN=C(c2ccc(NC(=O)Nc3cc(C(=O)Nc4ccc(C5=NC[C@@H](C)N5)cc4)ccc3C(=O)Nc3ccc(C4=NC[C@H](C)N4)cc3)cc2)N1
InChIInChI=1S/C39H40N10O3/c1-22-19-40-34(43-22)25-4-11-29(12-5-25)46-37(50)28-10-17-32(38(51)47-30-13-6-26(7-14-30)35-41-20-23(2)44-35)33(18-28)49-39(52)48-31-15-8-27(9-16-31)36-42-21-24(3)45-36/h4-18,22-24H,19-21H2,1-3H3,(H,40,43)(H,41,44)(H,42,45)(H,46,50)(H,47,51)(H2,48,49,52)/t22-,23+,24-/m1/s1
InChIKeyFTORKBHJPPBWSE-TZRRMPRUSA-N
XLogP5.05
TPSA172.50 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500696.82
LogP ≤ 55.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide with MolForge

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Related Compounds

1,3-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;dihydrochloride
CID 131875120
1-N,4-N-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 70695592
2-acetamido-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;hydrochloride
CID 44530994
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide;hydrochloride
CID 44531278
2-bromo-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131876062
N-(5-chloro-2-pyridinyl)-2-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)benzoyl]amino]thiophene-3-carboxamide
CID 67012140
3-[(4-carbamothioylphenyl)carbamoylamino]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzamide
CID 21139769
5-methyl-N-pyridin-4-yl-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902274
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;methanesulfonic acid
CID 76853602
4-methyl-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82251166
CID 168914210
CID 168914210

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide (CID 99680015) is 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide is C[C@@H]1CN=C(c2ccc(NC(=O)Nc3cc(C(=O)Nc4ccc(C5=NC[C@@H](C)N5)cc4)ccc3C(=O)Nc3ccc(C4=NC[C@H](C)N4)cc3)cc2)N1.
What is the InChIKey of 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide?
The InChIKey is FTORKBHJPPBWSE-TZRRMPRUSA-N. The full InChI is InChI=1S/C39H40N10O3/c1-22-19-40-34(43-22)25-4-11-29(12-5-25)46-37(50)28-10-17-32(38(51)47-30-13-6-26(7-14-30)35-41-20-23(2)44-35)33(18-28)49-39(52)48-31-15-8-27(9-16-31)36-42-21-24(3)45-36/h4-18,22-24H,19-21H2,1-3H3,(H,40,43)(H,41,44)(H,42,45)(H,46,50)(H,47,51)(H2,48,49,52)/t22-,23+,24-/m1/s1.
What are the key properties of 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide?
4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide has a molecular weight of 696.82 g/mol, XLogP of 5.05, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-1-N-[4-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]-2-[[4-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenyl]carbamoylamino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 99680015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).