3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole

C12H10ClN3 — CID 116884405

IUPAC3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1cnc(Cl)[nH]1
InChIInChI=1S/C12H10ClN3/c1-7-11(10-6-14-12(13)16-10)8-4-2-3-5-9(8)15-7/h2-6,15H,1H3,(H,14,16)
InChIKeyFIVPQGCTPCGZHQ-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.52
Rot. Bonds1

About 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole

3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole (PubChem CID 116884405) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole.

Molecular Properties

Compound Name3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
PubChem CID116884405
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1cnc(Cl)[nH]1
InChIInChI=1S/C12H10ClN3/c1-7-11(10-6-14-12(13)16-10)8-4-2-3-5-9(8)15-7/h2-6,15H,1H3,(H,14,16)
InChIKeyFIVPQGCTPCGZHQ-UHFFFAOYSA-N
XLogP3.52
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol
CID 116878448
2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876786
N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876967
2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
CID 116882873
[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882112
6-(2-methyl-1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900687
2-chloro-5-(2-methylphenyl)-1H-imidazole
CID 105446616
5-ethoxy-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole
CID 116864878
4-(2-methyl-1H-indol-3-yl)quinoline
CID 745072
[4-(2-methyl-1H-indol-3-yl)-3-pyridinyl]methanamine
CID 83919208
[6-(2-methyl-1H-indol-3-yl)pyridazin-3-yl]methanamine
CID 82292200
4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
CID 67553522

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole?
The IUPAC name of 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole (CID 116884405) is 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole.
What is the SMILES notation for 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole?
The canonical SMILES for 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1-c1cnc(Cl)[nH]1.
What is the InChIKey of 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole?
The InChIKey is FIVPQGCTPCGZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-7-11(10-6-14-12(13)16-10)8-4-2-3-5-9(8)15-7/h2-6,15H,1H3,(H,14,16).
What are the key properties of 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole?
3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole has a molecular weight of 231.69 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole is sourced from PubChem (CID 116884405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).