N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide

C34H34N4O — CID 68813106

IUPACN-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)C(c2ccccc2)c2nc(-c3ccccc3)cn2Cc2ccccc2)cc1
InChIInChI=1S/C34H34N4O/c1-26-18-20-30(21-19-26)34(39)38(23-11-22-35)32(29-16-9-4-10-17-29)33-36-31(28-14-7-3-8-15-28)25-37(33)24-27-12-5-2-6-13-27/h2-10,12-21,25,32H,11,22-24,35H2,1H3
InChIKeyQVFVYOOEHCFLJO-UHFFFAOYSA-N
MW514.67 g/mol
LogP6.49
Rot. Bonds10

About N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide

N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide (PubChem CID 68813106) has the molecular formula C34H34N4O and a molecular weight of 514.67 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide
PubChem CID68813106
Molecular FormulaC34H34N4O
Molecular Weight514.67 g/mol
Exact Mass514.27
IUPAC NameN-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCCN)C(c2ccccc2)c2nc(-c3ccccc3)cn2Cc2ccccc2)cc1
InChIInChI=1S/C34H34N4O/c1-26-18-20-30(21-19-26)34(39)38(23-11-22-35)32(29-16-9-4-10-17-29)33-36-31(28-14-7-3-8-15-28)25-37(33)24-27-12-5-2-6-13-27/h2-10,12-21,25,32H,11,22-24,35H2,1H3
InChIKeyQVFVYOOEHCFLJO-UHFFFAOYSA-N
XLogP6.49
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 11554522
N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-methoxyphenyl)imidazol-2-yl]-2-methylpropyl]benzamide
CID 73024551
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-4-methoxybenzamide
CID 11699383
N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide
CID 11541111
N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide
CID 73232700
N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
CID 76615921
N-[2-[(2-aminoacetyl)amino]ethyl]-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
CID 76616019
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide
CID 11519431
1-(3-aminopropyl)-1-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-3-thiophen-3-ylurea
CID 73232789
N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-chlorobenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 11598082
2-[1-[3-aminopropyl-(4-methylbenzoyl)amino]-2-methylpropyl]-1-benzyl-4-methyl-6-oxopyrimidine-5-carboxamide
CID 69426709
N-(3-aminopropyl)-N-[1-[1-benzyl-5-(3,4-dimethylphenyl)-4-methyl-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide
CID 21076869

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide (CID 68813106) is N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CCCN)C(c2ccccc2)c2nc(-c3ccccc3)cn2Cc2ccccc2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide?
The InChIKey is QVFVYOOEHCFLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O/c1-26-18-20-30(21-19-26)34(39)38(23-11-22-35)32(29-16-9-4-10-17-29)33-36-31(28-14-7-3-8-15-28)25-37(33)24-27-12-5-2-6-13-27/h2-10,12-21,25,32H,11,22-24,35H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide?
N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide has a molecular weight of 514.67 g/mol, XLogP of 6.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide is sourced from PubChem (CID 68813106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).