4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide

C17H19N3 — CID 114483353

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCc3ccccc32)c(C)c1
InChIInChI=1S/C17H19N3/c1-12-10-14(17(18)19)6-7-15(12)11-20-9-8-13-4-2-3-5-16(13)20/h2-7,10H,8-9,11H2,1H3,(H3,18,19)
InChIKeyUVBNOLFRHHNTOP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.84
Rot. Bonds3

About 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide

4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide (PubChem CID 114483353) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
PubChem CID114483353
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCc3ccccc32)c(C)c1
InChIInChI=1S/C17H19N3/c1-12-10-14(17(18)19)6-7-15(12)11-20-9-8-13-4-2-3-5-16(13)20/h2-7,10H,8-9,11H2,1H3,(H3,18,19)
InChIKeyUVBNOLFRHHNTOP-UHFFFAOYSA-N
XLogP2.84
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483358
4-(2,3-dihydroindol-1-ylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482447
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzonitrile
CID 114480954
2-[2-[(5-carbamimidoyl-2,3-dihydroindol-1-yl)methyl]-4-methoxyphenyl]benzoic acid
CID 11486433
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483636
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 103534175
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483527
4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483641
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483620
3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
CID 43367984
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide (CID 114483353) is 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCc3ccccc32)c(C)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide?
The InChIKey is UVBNOLFRHHNTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-10-14(17(18)19)6-7-15(12)11-20-9-8-13-4-2-3-5-16(13)20/h2-7,10H,8-9,11H2,1H3,(H3,18,19).
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide?
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide has a molecular weight of 265.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).