N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide

C30H36N6O2 — CID 10984079

IUPACN-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide
SMILESCCCc1[nH]c(-c2nc(C(=O)NCc3ccc(C)cc3)c(CCC)[nH]2)nc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C30H36N6O2/c1-5-7-23-25(29(37)31-17-21-13-9-19(3)10-14-21)35-27(33-23)28-34-24(8-6-2)26(36-28)30(38)32-18-22-15-11-20(4)12-16-22/h9-16H,5-8,17-18H2,1-4H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)
InChIKeyIWLJTDHVLMFOOH-UHFFFAOYSA-N
MW512.66 g/mol
LogP5.18
Rot. Bonds11

About N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide

N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide (PubChem CID 10984079) has the molecular formula C30H36N6O2 and a molecular weight of 512.66 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide
PubChem CID10984079
Molecular FormulaC30H36N6O2
Molecular Weight512.66 g/mol
Exact Mass512.29
IUPAC NameN-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide
SMILESCCCc1[nH]c(-c2nc(C(=O)NCc3ccc(C)cc3)c(CCC)[nH]2)nc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C30H36N6O2/c1-5-7-23-25(29(37)31-17-21-13-9-19(3)10-14-21)35-27(33-23)28-34-24(8-6-2)26(36-28)30(38)32-18-22-15-11-20(4)12-16-22/h9-16H,5-8,17-18H2,1-4H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)
InChIKeyIWLJTDHVLMFOOH-UHFFFAOYSA-N
XLogP5.18
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-methylsulfanyl-4-propylpyrimidine-5-carboxamide
CID 20913847
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide
CID 54336586
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
5-hydroxy-N-[(4-methylphenyl)methyl]-6-oxo-2-thiophen-2-yl-1H-pyrimidine-4-carboxamide
CID 135601762
4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076796
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
N-[(4-methylphenyl)methyl]-3-sulfanylpyridine-2-carboxamide
CID 5274904
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide (CID 10984079) is N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide is CCCc1[nH]c(-c2nc(C(=O)NCc3ccc(C)cc3)c(CCC)[nH]2)nc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide?
The InChIKey is IWLJTDHVLMFOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2/c1-5-7-23-25(29(37)31-17-21-13-9-19(3)10-14-21)35-27(33-23)28-34-24(8-6-2)26(36-28)30(38)32-18-22-15-11-20(4)12-16-22/h9-16H,5-8,17-18H2,1-4H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide?
N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide has a molecular weight of 512.66 g/mol, XLogP of 5.18, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 10984079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).