N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide

C25H22N4O — CID 46186258

IUPACN-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
SMILESCC1(c2ccc(-c3ccccc3)cc2)CC1C(=O)N/N=C/c1cccc2[nH]cnc12
InChIInChI=1S/C25H22N4O/c1-25(20-12-10-18(11-13-20)17-6-3-2-4-7-17)14-21(25)24(30)29-28-15-19-8-5-9-22-23(19)27-16-26-22/h2-13,15-16,21H,14H2,1H3,(H,26,27)(H,29,30)/b28-15+
InChIKeyCIPBETRRNAJBAM-RWPZCVJISA-N
MW394.48 g/mol
LogP4.66
Rot. Bonds5

About N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide

N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide (PubChem CID 46186258) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
PubChem CID46186258
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC NameN-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
SMILESCC1(c2ccc(-c3ccccc3)cc2)CC1C(=O)N/N=C/c1cccc2[nH]cnc12
InChIInChI=1S/C25H22N4O/c1-25(20-12-10-18(11-13-20)17-6-3-2-4-7-17)14-21(25)24(30)29-28-15-19-8-5-9-22-23(19)27-16-26-22/h2-13,15-16,21H,14H2,1H3,(H,26,27)(H,29,30)/b28-15+
InChIKeyCIPBETRRNAJBAM-RWPZCVJISA-N
XLogP4.66
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1,3-benzothiazol-6-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 46183745
N-[(E)-1,3-benzoxazol-7-ylmethylideneamino]-2-(4-tert-butylphenyl)-2-methylcyclopropane-1-carboxamide
CID 46186510
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 137207097
N-[(E)-isoquinolin-5-ylmethylideneamino]-2-methyl-2-(4-piperazin-1-ylphenyl)cyclopropane-1-carboxamide
CID 46183034
trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 102346584
2,2-bis(4-methylphenyl)-N-[(2-nitrophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 4611219
2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide
CID 3594985
cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 129360078
trans-(1R,2R)-N-[(E)-(2-bromophenyl)methylideneamino]-2-ethoxy-2-phenylcyclopropane-1-carboxamide
CID 7628451
N-cyclopropyl-1H-benzimidazole-4-carboxamide
CID 110700811
N-[(2-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 3093090
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide (CID 46186258) is N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide is CC1(c2ccc(-c3ccccc3)cc2)CC1C(=O)N/N=C/c1cccc2[nH]cnc12.
What is the InChIKey of N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is CIPBETRRNAJBAM-RWPZCVJISA-N. The full InChI is InChI=1S/C25H22N4O/c1-25(20-12-10-18(11-13-20)17-6-3-2-4-7-17)14-21(25)24(30)29-28-15-19-8-5-9-22-23(19)27-16-26-22/h2-13,15-16,21H,14H2,1H3,(H,26,27)(H,29,30)/b28-15+.
What are the key properties of N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide?
N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 46186258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).