7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole

C18H17N3 — CID 114716253

IUPAC7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole
SMILESc1ccc(Cn2cncc2-c2cccc3c2NCC3)cc1
InChIInChI=1S/C18H17N3/c1-2-5-14(6-3-1)12-21-13-19-11-17(21)16-8-4-7-15-9-10-20-18(15)16/h1-8,11,13,20H,9-10,12H2
InChIKeyDPWSVJZDHGDMIE-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.57
Rot. Bonds3

About 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole

7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole (PubChem CID 114716253) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole
PubChem CID114716253
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole
SMILESc1ccc(Cn2cncc2-c2cccc3c2NCC3)cc1
InChIInChI=1S/C18H17N3/c1-2-5-14(6-3-1)12-21-13-19-11-17(21)16-8-4-7-15-9-10-20-18(15)16/h1-8,11,13,20H,9-10,12H2
InChIKeyDPWSVJZDHGDMIE-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole 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

7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114717398
2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106377546
5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 106422528
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-methylpropanamide
CID 114719194
3-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]propan-1-amine
CID 114718280
3-[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]-N-ethylpropanamide
CID 114721852
7-(3-cyclobutylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114720083
8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722364
N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
CID 114715972
8-[3-(2-cyclopropylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722102
7-[3-(4-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114721013
7-[3-(1-methoxybutan-2-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114720858

Frequently Asked Questions

What is the IUPAC name of 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole (CID 114716253) is 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole is c1ccc(Cn2cncc2-c2cccc3c2NCC3)cc1.
What is the InChIKey of 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole?
The InChIKey is DPWSVJZDHGDMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-5-14(6-3-1)12-21-13-19-11-17(21)16-8-4-7-15-9-10-20-18(15)16/h1-8,11,13,20H,9-10,12H2.
What are the key properties of 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole?
7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole has a molecular weight of 275.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 114716253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).