2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole

C18H17N3 — CID 102533915

IUPAC2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole
SMILESCc1[nH]c2ccccc2c1CCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17N3/c1-12-13(14-6-2-3-7-15(14)19-12)10-11-18-20-16-8-4-5-9-17(16)21-18/h2-9,19H,10-11H2,1H3,(H,20,21)
InChIKeyXUOUSRXJHUVRBB-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.14
Rot. Bonds3

About 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole

2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole (PubChem CID 102533915) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole
PubChem CID102533915
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole
SMILESCc1[nH]c2ccccc2c1CCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H17N3/c1-12-13(14-6-2-3-7-15(14)19-12)10-11-18-20-16-8-4-5-9-17(16)21-18/h2-9,19H,10-11H2,1H3,(H,20,21)
InChIKeyXUOUSRXJHUVRBB-UHFFFAOYSA-N
XLogP4.14
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
CID 87640795
CID 87640795
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-docosyl-1H-benzimidazole
CID 141189761
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
CID 139672369
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
2-[(E)-hex-3-enyl]-1H-benzimidazole
CID 96559916
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole (CID 102533915) is 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole is Cc1[nH]c2ccccc2c1CCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole?
The InChIKey is XUOUSRXJHUVRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-12-13(14-6-2-3-7-15(14)19-12)10-11-18-20-16-8-4-5-9-17(16)21-18/h2-9,19H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole?
2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole has a molecular weight of 275.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-1H-indol-3-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 102533915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).