1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone

C32H42N6O — CID 58154929

IUPAC1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone
SMILESCCCN(CCC)Cc1ccc(CC(=O)c2ccc(CN(Cc3nccn3C)Cc3nccn3C)cc2)cc1
InChIInChI=1S/C32H42N6O/c1-5-17-37(18-6-2)22-27-9-7-26(8-10-27)21-30(39)29-13-11-28(12-14-29)23-38(24-31-33-15-19-35(31)3)25-32-34-16-20-36(32)4/h7-16,19-20H,5-6,17-18,21-25H2,1-4H3
InChIKeyUGISPIJPJSKYLW-UHFFFAOYSA-N
MW526.73 g/mol
LogP5.40
Rot. Bonds15

About 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone

1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone (PubChem CID 58154929) has the molecular formula C32H42N6O and a molecular weight of 526.73 g/mol. Its IUPAC name is 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone
PubChem CID58154929
Molecular FormulaC32H42N6O
Molecular Weight526.73 g/mol
Exact Mass526.34
IUPAC Name1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone
SMILESCCCN(CCC)Cc1ccc(CC(=O)c2ccc(CN(Cc3nccn3C)Cc3nccn3C)cc2)cc1
InChIInChI=1S/C32H42N6O/c1-5-17-37(18-6-2)22-27-9-7-26(8-10-27)21-30(39)29-13-11-28(12-14-29)23-38(24-31-33-15-19-35(31)3)25-32-34-16-20-36(32)4/h7-16,19-20H,5-6,17-18,21-25H2,1-4H3
InChIKeyUGISPIJPJSKYLW-UHFFFAOYSA-N
XLogP5.40
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.73
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone with MolForge

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Related Compounds

ethyl 2-[[[4-[2-[4-[(dipropylamino)methyl]phenyl]acetyl]phenyl]methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazole-1-carboxylate
CID 58154949
methyl 2-[[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl-[4-(dipropylamino)butyl]amino]acetate
CID 67103541
N-[4-[(dipropylamino)methyl]phenyl]-4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzamide
CID 11950262
heptyl 2-[[[4-[2-[4-[(dipropylamino)methyl]phenyl]acetyl]phenyl]methyl-[[1-(2-hexoxyacetyl)imidazol-2-yl]methyl]amino]methyl]imidazole-1-carboxylate
CID 58154884
N-[[4-[[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl-methylamino]methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 11950442
1-[4-[(1-methylimidazol-2-yl)methyl]phenyl]propan-1-one
CID 79737632
butyl 3-[4-(dipropylamino)butyl-[[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]amino]propanoate
CID 11534460
1-[4-(dipropylamino)butyl]-3-[4-[[1H-imidazol-2-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-1,3-dimethylurea
CID 11635015
2-[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]acetohydrazide
CID 105351792
2-(1-methylimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 12049984
4-[[4,5-dihydro-1H-imidazol-2-ylmethyl-[[1-(2-hydroxyethyl)imidazol-2-yl]methyl]amino]methyl]-N-[4-[(dipropylamino)methyl]phenyl]benzamide
CID 71218638
4-[(dipropylamino)methyl]benzoyl chloride
CID 15662524

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone (CID 58154929) is 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone is CCCN(CCC)Cc1ccc(CC(=O)c2ccc(CN(Cc3nccn3C)Cc3nccn3C)cc2)cc1.
What is the InChIKey of 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone?
The InChIKey is UGISPIJPJSKYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O/c1-5-17-37(18-6-2)22-27-9-7-26(8-10-27)21-30(39)29-13-11-28(12-14-29)23-38(24-31-33-15-19-35(31)3)25-32-34-16-20-36(32)4/h7-16,19-20H,5-6,17-18,21-25H2,1-4H3.
What are the key properties of 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone?
1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone has a molecular weight of 526.73 g/mol, XLogP of 5.40, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[bis[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]-2-[4-[(dipropylamino)methyl]phenyl]ethanone is sourced from PubChem (CID 58154929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).