5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole

C13H14ClN3 — CID 24951525

IUPAC5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2cc(Cl)ccc2N1Cc1cnc[nH]1
InChIInChI=1S/C13H14ClN3/c1-9-4-10-5-11(14)2-3-13(10)17(9)7-12-6-15-8-16-12/h2-3,5-6,8-9H,4,7H2,1H3,(H,15,16)
InChIKeyVPWCLSJTWPKKJX-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.01
Rot. Bonds2

About 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole

5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole (PubChem CID 24951525) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole
PubChem CID24951525
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole
SMILESCC1Cc2cc(Cl)ccc2N1Cc1cnc[nH]1
InChIInChI=1S/C13H14ClN3/c1-9-4-10-5-11(14)2-3-13(10)17(9)7-12-6-15-8-16-12/h2-3,5-6,8-9H,4,7H2,1H3,(H,15,16)
InChIKeyVPWCLSJTWPKKJX-UHFFFAOYSA-N
XLogP3.01
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(5-chloro-2-methyl-2,3-dihydroindol-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 155955862
(2R)-2-(1-bicyclo[1.1.1]pentanyl)-7-chloro-1-(1H-imidazol-5-ylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 178123963
(2S)-2-(1-bicyclo[1.1.1]pentanyl)-7-chloro-1-(1H-imidazol-5-ylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 178124037
7-chloro-2-(cyclopropylmethyl)-1-(1H-imidazol-5-ylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 178123794
(2S)-2-(1-bicyclo[1.1.1]pentanylmethyl)-7-chloro-1-(1H-imidazol-5-ylmethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 178123850
8-chloro-3-(1H-imidazol-5-ylmethyl)-2,5-dihydro-1H-3-benzazepin-4-one
CID 67394016
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
8-[[2-(1-bicyclo[2.1.1]hexanyl)-7-chloro-1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane
CID 178124072
1-[(5-chloro-1-benzothiophen-3-yl)methyl]-2-methyl-2,3-dihydroindole
CID 141125701
(2R)-1-(1H-imidazol-5-ylmethyl)-2-(1-methylcyclopropyl)-7-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 178123837
(2S)-2-(1-bicyclo[1.1.1]pentanyl)-1-(1H-imidazol-5-ylmethyl)-7-methyl-4-(trifluoromethylsulfonyl)-3,5-dihydro-2H-1,4-benzodiazepine
CID 178123198
1-(1H-imidazol-5-ylmethyl)-5-methoxy-2,3-dihydroindole
CID 24951527

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole?
The IUPAC name of 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole (CID 24951525) is 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole is CC1Cc2cc(Cl)ccc2N1Cc1cnc[nH]1.
What is the InChIKey of 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole?
The InChIKey is VPWCLSJTWPKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-4-10-5-11(14)2-3-13(10)17(9)7-12-6-15-8-16-12/h2-3,5-6,8-9H,4,7H2,1H3,(H,15,16).
What are the key properties of 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole?
5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole has a molecular weight of 247.73 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1H-imidazol-5-ylmethyl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 24951525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).