N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide

C22H22N4O2 — CID 166200331

IUPACN-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide
SMILESO=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C22H22N4O2/c27-22(8-2-17-1-7-21-18(15-17)9-10-24-21)25-19-3-5-20(6-4-19)28-14-13-26-12-11-23-16-26/h1,3-7,9-12,15-16,24H,2,8,13-14H2,(H,25,27)
InChIKeyCVLQXOQDUMKOCS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.01
Rot. Bonds8

About N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide

N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide (PubChem CID 166200331) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide
PubChem CID166200331
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide
SMILESO=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C22H22N4O2/c27-22(8-2-17-1-7-21-18(15-17)9-10-24-21)25-19-3-5-20(6-4-19)28-14-13-26-12-11-23-16-26/h1,3-7,9-12,15-16,24H,2,8,13-14H2,(H,25,27)
InChIKeyCVLQXOQDUMKOCS-UHFFFAOYSA-N
XLogP4.01
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide
CID 47045489
4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one
CID 175853816
N-(1H-indol-5-yl)-3-(3-methoxyphenyl)propanamide
CID 110730751
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
6-[4-(4-imidazol-1-ylbutanoylamino)phenoxy]-2,2-dimethylhexanoic acid
CID 13422045
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
3-(3H-benzimidazol-5-yl)-N-(4-ethoxyphenyl)propanamide
CID 53131365
N-[4-(2-imidazol-1-ylethoxy)phenyl]-2,7-dimethylquinoline-3-carboxamide
CID 166198748

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide?
The IUPAC name of N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide (CID 166200331) is N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide.
What is the SMILES notation for N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide?
The canonical SMILES for N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide is O=C(CCc1ccc2[nH]ccc2c1)Nc1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide?
The InChIKey is CVLQXOQDUMKOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-22(8-2-17-1-7-21-18(15-17)9-10-24-21)25-19-3-5-20(6-4-19)28-14-13-26-12-11-23-16-26/h1,3-7,9-12,15-16,24H,2,8,13-14H2,(H,25,27).
What are the key properties of N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide?
N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-imidazol-1-ylethoxy)phenyl]-3-(1H-indol-5-yl)propanamide is sourced from PubChem (CID 166200331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).