3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide

C24H32N4O4 — CID 146370932

IUPAC3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(OC)cc(C(C)NC(=O)c2ccc(OC(C)C)c(CNC3=NCCN3)c2)c1
InChIInChI=1S/C24H32N4O4/c1-15(2)32-22-7-6-17(10-19(22)14-27-24-25-8-9-26-24)23(29)28-16(3)18-11-20(30-4)13-21(12-18)31-5/h6-7,10-13,15-16H,8-9,14H2,1-5H3,(H,28,29)(H2,25,26,27)
InChIKeyIILFFOCGRIXDME-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.03
Rot. Bonds9

About 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 146370932) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
PubChem CID146370932
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(OC)cc(C(C)NC(=O)c2ccc(OC(C)C)c(CNC3=NCCN3)c2)c1
InChIInChI=1S/C24H32N4O4/c1-15(2)32-22-7-6-17(10-19(22)14-27-24-25-8-9-26-24)23(29)28-16(3)18-11-20(30-4)13-21(12-18)31-5/h6-7,10-13,15-16H,8-9,14H2,1-5H3,(H,28,29)(H2,25,26,27)
InChIKeyIILFFOCGRIXDME-UHFFFAOYSA-N
XLogP3.03
TPSA93.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 146371004
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
CID 146370750
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
3-(5-chloro-6-methoxy-3-pyridinyl)-5-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 146370961
4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 119288200
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
3,5-dimethoxy-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 28549066
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide (CID 146370932) is 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide is COc1cc(OC)cc(C(C)NC(=O)c2ccc(OC(C)C)c(CNC3=NCCN3)c2)c1.
What is the InChIKey of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is IILFFOCGRIXDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-15(2)32-22-7-6-17(10-19(22)14-27-24-25-8-9-26-24)23(29)28-16(3)18-11-20(30-4)13-21(12-18)31-5/h6-7,10-13,15-16H,8-9,14H2,1-5H3,(H,28,29)(H2,25,26,27).
What are the key properties of 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide?
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 440.54 g/mol, XLogP of 3.03, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 146370932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).