3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol

C15H17N3O — CID 116878448

IUPAC3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol
SMILESCc1[nH]c2ccccc2c1-c1cnc(CCCO)[nH]1
InChIInChI=1S/C15H17N3O/c1-10-15(11-5-2-3-6-12(11)17-10)13-9-16-14(18-13)7-4-8-19/h2-3,5-6,9,17,19H,4,7-8H2,1H3,(H,16,18)
InChIKeyKXUMIPRGVCBEMH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.79
Rot. Bonds4

About 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol

3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol (PubChem CID 116878448) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol
PubChem CID116878448
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol
SMILESCc1[nH]c2ccccc2c1-c1cnc(CCCO)[nH]1
InChIInChI=1S/C15H17N3O/c1-10-15(11-5-2-3-6-12(11)17-10)13-9-16-14(18-13)7-4-8-19/h2-3,5-6,9,17,19H,4,7-8H2,1H3,(H,16,18)
InChIKeyKXUMIPRGVCBEMH-UHFFFAOYSA-N
XLogP2.79
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876967
3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
CID 116884405
2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
CID 116882873
3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-ol
CID 116878481
2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876786
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882112
3-[5-(4-aminophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 155232141
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
4-amino-4-(2-methyl-1H-indol-3-yl)butan-1-ol
CID 116861434
5-[2-(3-hydroxypropyl)-1H-imidazol-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 116878465
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878459

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol?
The IUPAC name of 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol (CID 116878448) is 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol is Cc1[nH]c2ccccc2c1-c1cnc(CCCO)[nH]1.
What is the InChIKey of 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol?
The InChIKey is KXUMIPRGVCBEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-15(11-5-2-3-6-12(11)17-10)13-9-16-14(18-13)7-4-8-19/h2-3,5-6,9,17,19H,4,7-8H2,1H3,(H,16,18).
What are the key properties of 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol?
3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 116878448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).