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

C41H51N7O2 — CID 143630361

IUPACN-[[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
SMILESCCCN(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CCC)C(=O)CC(C)C)[nH]4)cc3)cc2)[nH]1)C(=O)CCc1ccc(CN)cc1
InChIInChI=1S/C41H51N7O2/c1-5-21-47(40(49)20-11-30-7-9-31(24-42)10-8-30)27-38-43-25-36(45-38)34-16-12-32(13-17-34)33-14-18-35(19-15-33)37-26-44-39(46-37)28-48(22-6-2)41(50)23-29(3)4/h7-10,12-19,25-26,29H,5-6,11,20-24,27-28,42H2,1-4H3,(H,43,45)(H,44,46)
InChIKeyJGPGCWLIVRYFFG-UHFFFAOYSA-N
MW673.91 g/mol
LogP7.75
Rot. Bonds17

About 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

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 (PubChem CID 143630361) has the molecular formula C41H51N7O2 and a molecular weight of 673.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID143630361
Molecular FormulaC41H51N7O2
Molecular Weight673.91 g/mol
Exact Mass673.41
IUPAC NameN-[[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
SMILESCCCN(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CCC)C(=O)CC(C)C)[nH]4)cc3)cc2)[nH]1)C(=O)CCc1ccc(CN)cc1
InChIInChI=1S/C41H51N7O2/c1-5-21-47(40(49)20-11-30-7-9-31(24-42)10-8-30)27-38-43-25-36(45-38)34-16-12-32(13-17-34)33-14-18-35(19-15-33)37-26-44-39(46-37)28-48(22-6-2)41(50)23-29(3)4/h7-10,12-19,25-26,29H,5-6,11,20-24,27-28,42H2,1-4H3,(H,43,45)(H,44,46)
InChIKeyJGPGCWLIVRYFFG-UHFFFAOYSA-N
XLogP7.75
TPSA124.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.91
LogP ≤ 57.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-propyl-N-[[5-[4-[4-[2-(propylaminomethyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]butanamide
CID 143630244
2-(dimethylamino)-N-[[5-[2-[4-[2-[[[2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]ethyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide
CID 123698209
methyl N-[2-[[5-[4-[4-[2-[[2-(methoxycarbonylamino)acetyl]-propylamino]ethylcarbamoyl]phenyl]phenyl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxoethyl]carbamate
CID 134422319
N-[[5-[4-[4-[2-[[[2-(diethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylpropanamide
CID 143630577
tert-butyl N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 123310590
methyl N-[2-[[5-[7-[2-[[[2-(methoxycarbonylamino)acetyl]-propylamino]methyl]-1H-imidazol-5-yl]thianthren-2-yl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxoethyl]carbamate
CID 134422055
methyl N-[2-[[5-[6-[4-[2-[[[2-(methoxycarbonylamino)acetyl]-(2-oxopropyl)amino]methyl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]methyl-propylamino]-2-oxoethyl]carbamate
CID 134421966
benzyl N-[[5-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 130414858
(2R)-2-(dimethylamino)-N-[[5-[4-[5-[2-[[[(2R)-2-(dimethylamino)-2-phenylacetyl]-propylamino]methyl]-1H-imidazol-5-yl]-2-pyridinyl]phenyl]-1H-imidazol-2-yl]methyl]-2-phenyl-N-propylacetamide;molecular hydrogen
CID 143630491
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
methyl N-[4-methoxy-1-[[1-[5-[4-[4-[2-[[4-methoxybutanoyl(propyl)amino]methyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]amino]-1-oxobutan-2-yl]carbamate;methyl N-methylcarbamate
CID 143848533
4-[5-(4-ethylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878659

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN(Cc1ncc(-c2ccc(-c3ccc(-c4cnc(CN(CCC)C(=O)CC(C)C)[nH]4)cc3)cc2)[nH]1)C(=O)CCc1ccc(CN)cc1.
What is the InChIKey of 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?
The InChIKey is JGPGCWLIVRYFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51N7O2/c1-5-21-47(40(49)20-11-30-7-9-31(24-42)10-8-30)27-38-43-25-36(45-38)34-16-12-32(13-17-34)33-14-18-35(19-15-33)37-26-44-39(46-37)28-48(22-6-2)41(50)23-29(3)4/h7-10,12-19,25-26,29H,5-6,11,20-24,27-28,42H2,1-4H3,(H,43,45)(H,44,46).
What are the key properties of 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?
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 has a molecular weight of 673.91 g/mol, XLogP of 7.75, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143630361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).