N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide

C33H42N6O — CID 174475085

IUPACN-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide
SMILESCCCC(N)(CCC)c1ccc(NC(=O)c2ccc(CN(Cc3ccc(CC)cn3)Cc3ncc[nH]3)cc2)cc1
InChIInChI=1S/C33H42N6O/c1-4-17-33(34,18-5-2)28-12-15-29(16-13-28)38-32(40)27-10-7-26(8-11-27)22-39(24-31-35-19-20-36-31)23-30-14-9-25(6-3)21-37-30/h7-16,19-21H,4-6,17-18,22-24,34H2,1-3H3,(H,35,36)(H,38,40)
InChIKeyMHGDNNRLTPRJMK-UHFFFAOYSA-N
MW538.74 g/mol
LogP6.58
Rot. Bonds14

About N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide

N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide (PubChem CID 174475085) has the molecular formula C33H42N6O and a molecular weight of 538.74 g/mol. Its IUPAC name is N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide
PubChem CID174475085
Molecular FormulaC33H42N6O
Molecular Weight538.74 g/mol
Exact Mass538.34
IUPAC NameN-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide
SMILESCCCC(N)(CCC)c1ccc(NC(=O)c2ccc(CN(Cc3ccc(CC)cn3)Cc3ncc[nH]3)cc2)cc1
InChIInChI=1S/C33H42N6O/c1-4-17-33(34,18-5-2)28-12-15-29(16-13-28)38-32(40)27-10-7-26(8-11-27)22-39(24-31-35-19-20-36-31)23-30-14-9-25(6-3)21-37-30/h7-16,19-21H,4-6,17-18,22-24,34H2,1-3H3,(H,35,36)(H,38,40)
InChIKeyMHGDNNRLTPRJMK-UHFFFAOYSA-N
XLogP6.58
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.74
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide 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

N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide
CID 174474874
N-[4-[(dipropylamino)methyl]phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]benzamide
CID 10369575
4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]-N-[4-[(1H-imidazol-2-ylmethylamino)methyl]phenyl]benzamide
CID 10435884
N-[4-[(dipropylamino)methyl]phenyl]-4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzamide
CID 11950262
N-[4-[(dipropylamino)methyl]phenyl]-4-[[1-(1H-imidazol-2-yl)butyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide
CID 21084508
[1-[[4-[[4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]benzoyl]amino]phenyl]methyl]cyclohexyl]carbamic acid
CID 21084420
cyclohexyl-[[4-[[4-[[1H-imidazol-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoyl]amino]phenyl]methyl]carbamic acid
CID 21084424
N-[4-(2-aminoethyl)phenyl]-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxamide
CID 134263953
4-[[4,5-dihydro-1H-imidazol-2-ylmethyl-[(1-ethylimidazol-2-yl)methyl]amino]methyl]-N-[4-[(dipropylamino)methyl]phenyl]benzamide
CID 71218653
4-[[(2-amino-2-iminoethyl)-(1H-benzimidazol-2-ylmethyl)amino]methyl]-N-[4-[[ethyl(propyl)amino]methyl]phenyl]benzamide
CID 142873267
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide (CID 174475085) is N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide is CCCC(N)(CCC)c1ccc(NC(=O)c2ccc(CN(Cc3ccc(CC)cn3)Cc3ncc[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is MHGDNNRLTPRJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O/c1-4-17-33(34,18-5-2)28-12-15-29(16-13-28)38-32(40)27-10-7-26(8-11-27)22-39(24-31-35-19-20-36-31)23-30-14-9-25(6-3)21-37-30/h7-16,19-21H,4-6,17-18,22-24,34H2,1-3H3,(H,35,36)(H,38,40).
What are the key properties of N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide?
N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 538.74 g/mol, XLogP of 6.58, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 174475085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).