2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide

C24H26N6O — CID 70986102

IUPAC2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide
SMILESCN(CCCc1ncc(-c2ccc(-c3ccc(-c4cnc[nH]4)cc3)cc2)[nH]1)C(=O)CN
InChIInChI=1S/C24H26N6O/c1-30(24(31)13-25)12-2-3-23-27-15-22(29-23)20-10-6-18(7-11-20)17-4-8-19(9-5-17)21-14-26-16-28-21/h4-11,14-16H,2-3,12-13,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyKDILXBHUWOFUPJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.48
Rot. Bonds8

About 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide

2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide (PubChem CID 70986102) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide
PubChem CID70986102
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide
SMILESCN(CCCc1ncc(-c2ccc(-c3ccc(-c4cnc[nH]4)cc3)cc2)[nH]1)C(=O)CN
InChIInChI=1S/C24H26N6O/c1-30(24(31)13-25)12-2-3-23-27-15-22(29-23)20-10-6-18(7-11-20)17-4-8-19(9-5-17)21-14-26-16-28-21/h4-11,14-16H,2-3,12-13,25H2,1H3,(H,26,28)(H,27,29)
InChIKeyKDILXBHUWOFUPJ-UHFFFAOYSA-N
XLogP3.48
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-pyridin-4-yl-1H-imidazol-2-yl)butanoic acid
CID 116878677
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659
tert-butyl N-methyl-N-[[5-(4-phenylphenyl)-1H-imidazol-2-yl]methyl]carbamate
CID 67214930
3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 155232141
2-[N-(carboxymethyl)-4-(1H-imidazol-5-yl)anilino]acetic acid
CID 20818432
N-methyl-2-(methylamino)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]acetamide
CID 120705058
3-[5-[4-(4-carbamimidoylphenyl)phenyl]-1H-imidazol-2-yl]propanoic acid
CID 19376756
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
N-[[5-[4-[4-[2-[[3-[4-(aminomethyl)phenyl]propanoyl-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-3-methyl-N-propylbutanamide
CID 143630361
4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one
CID 123956504
4-[[methyl-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 122022151

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide (CID 70986102) is 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide is CN(CCCc1ncc(-c2ccc(-c3ccc(-c4cnc[nH]4)cc3)cc2)[nH]1)C(=O)CN.
What is the InChIKey of 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide?
The InChIKey is KDILXBHUWOFUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-30(24(31)13-25)12-2-3-23-27-15-22(29-23)20-10-6-18(7-11-20)17-4-8-19(9-5-17)21-14-26-16-28-21/h4-11,14-16H,2-3,12-13,25H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide?
2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide has a molecular weight of 414.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]propyl]-N-methylacetamide is sourced from PubChem (CID 70986102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).