1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine

C23H29N5O — CID 143744455

IUPAC1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine
SMILESC=C(N)c1c(-c2cc3cccc(OC)c3[nH]2)nc(C2CCN(C)CC2)n1/C=C\C
InChIInChI=1S/C23H29N5O/c1-5-11-28-22(15(2)24)21(26-23(28)16-9-12-27(3)13-10-16)18-14-17-7-6-8-19(29-4)20(17)25-18/h5-8,11,14,16,25H,2,9-10,12-13,24H2,1,3-4H3/b11-5-
InChIKeyIKRQDWPBOPVPLZ-WZUFQYTHSA-N
MW391.52 g/mol
LogP4.27
Rot. Bonds5

About 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine

1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine (PubChem CID 143744455) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine.

Molecular Properties

Compound Name1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine
PubChem CID143744455
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine
SMILESC=C(N)c1c(-c2cc3cccc(OC)c3[nH]2)nc(C2CCN(C)CC2)n1/C=C\C
InChIInChI=1S/C23H29N5O/c1-5-11-28-22(15(2)24)21(26-23(28)16-9-12-27(3)13-10-16)18-14-17-7-6-8-19(29-4)20(17)25-18/h5-8,11,14,16,25H,2,9-10,12-13,24H2,1,3-4H3/b11-5-
InChIKeyIKRQDWPBOPVPLZ-WZUFQYTHSA-N
XLogP4.27
TPSA72.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-[3-(1H-indol-3-yl)-propyl]-amine
CID 11232913
1-Benzyl-7-methoxy-2-piperazin-1-ylbenzimidazole
CID 11723654
2-(7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)-8-(pyrrolidin-3-ylmethoxy)quinoline
CID 25098432
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168280914
N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 943305
8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 943338
8-ethoxy-N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 945500
4-Butoxy-8-methoxy-5H-pyrimido[5,4-b]indole
CID 5122830
8-(1H-benzimidazol-2-ylmethoxy)quinoline
CID 2231560
(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine?
The IUPAC name of 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine (CID 143744455) is 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine.
What is the SMILES notation for 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine?
The canonical SMILES for 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine is C=C(N)c1c(-c2cc3cccc(OC)c3[nH]2)nc(C2CCN(C)CC2)n1/C=C\C.
What is the InChIKey of 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine?
The InChIKey is IKRQDWPBOPVPLZ-WZUFQYTHSA-N. The full InChI is InChI=1S/C23H29N5O/c1-5-11-28-22(15(2)24)21(26-23(28)16-9-12-27(3)13-10-16)18-14-17-7-6-8-19(29-4)20(17)25-18/h5-8,11,14,16,25H,2,9-10,12-13,24H2,1,3-4H3/b11-5-.
What are the key properties of 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine?
1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine has a molecular weight of 391.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-methoxy-1H-indol-2-yl)-2-(1-methylpiperidin-4-yl)-3-[(Z)-prop-1-enyl]imidazol-4-yl]ethenamine is sourced from PubChem (CID 143744455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).