[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

C17H15N5O — CID 25499914

IUPAC[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H15N5O/c1-12-9-13-5-2-3-8-16(13)22(12)17(23)14-6-4-7-15(10-14)21-11-18-19-20-21/h2-8,10-12H,9H2,1H3/t12-/m0/s1
InChIKeyDJLDGRBIGZRKFO-LBPRGKRZSA-N
MW305.34 g/mol
LogP2.25
Rot. Bonds2

About [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 25499914) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID25499914
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H15N5O/c1-12-9-13-5-2-3-8-16(13)22(12)17(23)14-6-4-7-15(10-14)21-11-18-19-20-21/h2-8,10-12H,9H2,1H3/t12-/m0/s1
InChIKeyDJLDGRBIGZRKFO-LBPRGKRZSA-N
XLogP2.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 71873432
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 44900852
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
(2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone
CID 53051636
[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 95598699
(2-methyl-1,3-thiazolidin-3-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 122331774
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
(2-methyl-2,3-dihydroindol-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173637

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone (CID 25499914) is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is C[C@H]1Cc2ccccc2N1C(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is DJLDGRBIGZRKFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15N5O/c1-12-9-13-5-2-3-8-16(13)22(12)17(23)14-6-4-7-15(10-14)21-11-18-19-20-21/h2-8,10-12H,9H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone?
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 305.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 25499914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).