[1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol

C19H21N3O — CID 170344374

IUPAC[1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol
SMILESOCc1cc2cccc(C=CCn3ccnc3)c2n1CC1CC1
InChIInChI=1S/C19H21N3O/c23-13-18-11-17-4-1-3-16(5-2-9-21-10-8-20-14-21)19(17)22(18)12-15-6-7-15/h1-5,8,10-11,14-15,23H,6-7,9,12-13H2
InChIKeyJBRHXKXBSQIDAC-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.45
Rot. Bonds6

About [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol

[1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol (PubChem CID 170344374) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol
PubChem CID170344374
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name[1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol
SMILESOCc1cc2cccc(C=CCn3ccnc3)c2n1CC1CC1
InChIInChI=1S/C19H21N3O/c23-13-18-11-17-4-1-3-16(5-2-9-21-10-8-20-14-21)19(17)22(18)12-15-6-7-15/h1-5,8,10-11,14-15,23H,6-7,9,12-13H2
InChIKeyJBRHXKXBSQIDAC-UHFFFAOYSA-N
XLogP3.45
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(E)-3-(4-fluoro-1-benzothiophen-2-yl)prop-2-enyl]imidazole
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1-[(Z)-but-2-enyl]imidazole
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[1-[(E)-3-phenylprop-2-enyl]indol-2-yl]methanol
CID 10801507
4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
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2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
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CID 52992527

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol?
The IUPAC name of [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol (CID 170344374) is [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol?
The canonical SMILES for [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol is OCc1cc2cccc(C=CCn3ccnc3)c2n1CC1CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol?
The InChIKey is JBRHXKXBSQIDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-13-18-11-17-4-1-3-16(5-2-9-21-10-8-20-14-21)19(17)22(18)12-15-6-7-15/h1-5,8,10-11,14-15,23H,6-7,9,12-13H2.
What are the key properties of [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol?
[1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol has a molecular weight of 307.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-7-(3-imidazol-1-ylprop-1-enyl)indol-2-yl]methanol is sourced from PubChem (CID 170344374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).