N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide

C26H25N5O — CID 90934781

IUPACN-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/C(=N\CCc2cnc[nH]2)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C26H25N5O/c1-19-8-7-11-21(16-19)25(32)31-26(28-15-14-22-17-27-18-29-22)30-24-13-6-5-12-23(24)20-9-3-2-4-10-20/h2-13,16-18H,14-15H2,1H3,(H,27,29)(H2,28,30,31,32)
InChIKeyNFQAFVTXVKPBPB-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.83
Rot. Bonds6

About N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide

N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide (PubChem CID 90934781) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide
PubChem CID90934781
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC NameN-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)N/C(=N\CCc2cnc[nH]2)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C26H25N5O/c1-19-8-7-11-21(16-19)25(32)31-26(28-15-14-22-17-27-18-29-22)30-24-13-6-5-12-23(24)20-9-3-2-4-10-20/h2-13,16-18H,14-15H2,1H3,(H,27,29)(H2,28,30,31,32)
InChIKeyNFQAFVTXVKPBPB-UHFFFAOYSA-N
XLogP4.83
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[N-(2,6-diethylphenyl)-N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide
CID 91167524
N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(3-phenylphenyl)carbamimidoyl]-4-nitrobenzamide
CID 90854650
3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(3-methoxyphenyl)carbamimidoyl]benzamide
CID 91310412
3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(4-methylsulfonylphenyl)carbamimidoyl]benzamide
CID 90919495
3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-[4-(4-methoxyphenyl)phenyl]carbamimidoyl]benzamide
CID 25227130
N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(4-phenylphenyl)carbamimidoyl]-4-nitrobenzamide
CID 90890998
N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-methylbenzamide
CID 46283013
3-methyl-N-[N-(2-methylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50771336
N-[N-(2,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]-3-methylbenzamide
CID 50818468
1-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]-3-(2-methoxyphenyl)thiourea
CID 16584027
3-methyl-N-[N-(3-methylphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818531
N-[N'-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-(4-methylphenyl)carbamimidoyl]-3-methylbenzamide
CID 46294276

Frequently Asked Questions

What is the IUPAC name of N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide?
The IUPAC name of N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide (CID 90934781) is N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide.
What is the SMILES notation for N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide?
The canonical SMILES for N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide is Cc1cccc(C(=O)N/C(=N\CCc2cnc[nH]2)Nc2ccccc2-c2ccccc2)c1.
What is the InChIKey of N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide?
The InChIKey is NFQAFVTXVKPBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-19-8-7-11-21(16-19)25(32)31-26(28-15-14-22-17-27-18-29-22)30-24-13-6-5-12-23(24)20-9-3-2-4-10-20/h2-13,16-18H,14-15H2,1H3,(H,27,29)(H2,28,30,31,32).
What are the key properties of N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide?
N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide has a molecular weight of 423.52 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[2-(1H-imidazol-5-yl)ethyl]-N-(2-phenylphenyl)carbamimidoyl]-3-methylbenzamide is sourced from PubChem (CID 90934781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).