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

C32H40N6O — CID 174474874

IUPACN-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide
SMILESCCCC(N)(CCC)c1ccc(NC(=O)c2ccc(CN(Cc3ccc(C)cn3)Cc3ncc[nH]3)cc2)cc1
InChIInChI=1S/C32H40N6O/c1-4-16-32(33,17-5-2)27-11-14-28(15-12-27)37-31(39)26-9-7-25(8-10-26)21-38(23-30-34-18-19-35-30)22-29-13-6-24(3)20-36-29/h6-15,18-20H,4-5,16-17,21-23,33H2,1-3H3,(H,34,35)(H,37,39)
InChIKeyONUJLNWEPYLPLP-UHFFFAOYSA-N
MW524.71 g/mol
LogP6.32
Rot. Bonds13

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

N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide (PubChem CID 174474874) has the molecular formula C32H40N6O and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide
PubChem CID174474874
Molecular FormulaC32H40N6O
Molecular Weight524.71 g/mol
Exact Mass524.33
IUPAC NameN-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide
SMILESCCCC(N)(CCC)c1ccc(NC(=O)c2ccc(CN(Cc3ccc(C)cn3)Cc3ncc[nH]3)cc2)cc1
InChIInChI=1S/C32H40N6O/c1-4-16-32(33,17-5-2)27-11-14-28(15-12-27)37-31(39)26-9-7-25(8-10-26)21-38(23-30-34-18-19-35-30)22-29-13-6-24(3)20-36-29/h6-15,18-20H,4-5,16-17,21-23,33H2,1-3H3,(H,34,35)(H,37,39)
InChIKeyONUJLNWEPYLPLP-UHFFFAOYSA-N
XLogP6.32
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[(5-ethyl-2-pyridinyl)methyl-(1H-imidazol-2-ylmethyl)amino]methyl]benzamide
CID 174475085
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
4-(4-aminoheptan-4-yl)-N-[[4-[[1H-imidazol-2-ylmethyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]methyl]aniline
CID 174488227
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
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-[[4,5-dihydro-1H-imidazol-2-ylmethyl-[(1-ethylimidazol-2-yl)methyl]amino]methyl]-N-[4-[(dipropylamino)methyl]phenyl]benzamide
CID 71218653

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide?
The IUPAC name of N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide (CID 174474874) is N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide is CCCC(N)(CCC)c1ccc(NC(=O)c2ccc(CN(Cc3ccc(C)cn3)Cc3ncc[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide?
The InChIKey is ONUJLNWEPYLPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O/c1-4-16-32(33,17-5-2)27-11-14-28(15-12-27)37-31(39)26-9-7-25(8-10-26)21-38(23-30-34-18-19-35-30)22-29-13-6-24(3)20-36-29/h6-15,18-20H,4-5,16-17,21-23,33H2,1-3H3,(H,34,35)(H,37,39).
What are the key properties of N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide?
N-[4-(4-aminoheptan-4-yl)phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide has a molecular weight of 524.71 g/mol, XLogP of 6.32, 13 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-[[1H-imidazol-2-ylmethyl-[(5-methyl-2-pyridinyl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 174474874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).