3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide

C23H25N5O — CID 46985571

IUPAC3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
SMILESCc1nccn1-c1ccccc1CNCc1cn(CCC(N)=O)c2ccccc12
InChIInChI=1S/C23H25N5O/c1-17-26-11-13-28(17)21-8-4-2-6-18(21)14-25-15-19-16-27(12-10-23(24)29)22-9-5-3-7-20(19)22/h2-9,11,13,16,25H,10,12,14-15H2,1H3,(H2,24,29)
InChIKeyMVZJXARKSZLHJP-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.30
Rot. Bonds8

About 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide

3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide (PubChem CID 46985571) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
PubChem CID46985571
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
SMILESCc1nccn1-c1ccccc1CNCc1cn(CCC(N)=O)c2ccccc12
InChIInChI=1S/C23H25N5O/c1-17-26-11-13-28(17)21-8-4-2-6-18(21)14-25-15-19-16-27(12-10-23(24)29)22-9-5-3-7-20(19)22/h2-9,11,13,16,25H,10,12,14-15H2,1H3,(H2,24,29)
InChIKeyMVZJXARKSZLHJP-UHFFFAOYSA-N
XLogP3.30
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
CID 46987148
3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
CID 46985288
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol
CID 66398666
4-[(carbamoylamino)methyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 49083686
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
CID 46989574
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide
CID 46988882
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide (CID 46985571) is 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide is Cc1nccn1-c1ccccc1CNCc1cn(CCC(N)=O)c2ccccc12.
What is the InChIKey of 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide?
The InChIKey is MVZJXARKSZLHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-26-11-13-28(17)21-8-4-2-6-18(21)14-25-15-19-16-27(12-10-23(24)29)22-9-5-3-7-20(19)22/h2-9,11,13,16,25H,10,12,14-15H2,1H3,(H2,24,29).
What are the key properties of 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide?
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide has a molecular weight of 387.49 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 46985571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).