7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole

C15H17N3 — CID 114717398

IUPAC7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESc1cc2c(c(-c3cncn3CC3CC3)c1)NCC2
InChIInChI=1S/C15H17N3/c1-2-12-6-7-17-15(12)13(3-1)14-8-16-10-18(14)9-11-4-5-11/h1-3,8,10-11,17H,4-7,9H2
InChIKeyQXHZIRLNKJXZJL-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.93
Rot. Bonds3

About 7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole

7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole (PubChem CID 114717398) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole
PubChem CID114717398
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole
SMILESc1cc2c(c(-c3cncn3CC3CC3)c1)NCC2
InChIInChI=1S/C15H17N3/c1-2-12-6-7-17-15(12)13(3-1)14-8-16-10-18(14)9-11-4-5-11/h1-3,8,10-11,17H,4-7,9H2
InChIKeyQXHZIRLNKJXZJL-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-benzylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114716253
7-(3-cyclobutylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114720083
2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106377546
8-[3-(2-cyclopropylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722102
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-(1-methylpiperidin-3-yl)imidazol-4-yl]-2,3-dihydro-1H-indole
CID 114718371
8-[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114722364
5-[[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 106422528
N-methyl-2-[5-(1,2,3,4-tetrahydroquinolin-8-yl)imidazol-1-yl]acetamide
CID 114715972
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-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole (CID 114717398) is 7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole is c1cc2c(c(-c3cncn3CC3CC3)c1)NCC2.
What is the InChIKey of 7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole?
The InChIKey is QXHZIRLNKJXZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-12-6-7-17-15(12)13(3-1)14-8-16-10-18(14)9-11-4-5-11/h1-3,8,10-11,17H,4-7,9H2.
What are the key properties of 7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole?
7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopropylmethyl)imidazol-4-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 114717398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).