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

C18H17N3 — CID 54246993

IUPAC2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(CCCc3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C18H17N3/c1-2-8-15-13(6-1)12-14(19-15)7-5-11-18-20-16-9-3-4-10-17(16)21-18/h1-4,6,8-10,12,19H,5,7,11H2,(H,20,21)
InChIKeyBPTAUHCCAHMUDH-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.22
Rot. Bonds4

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

2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole (PubChem CID 54246993) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole
PubChem CID54246993
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(CCCc3nc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C18H17N3/c1-2-8-15-13(6-1)12-14(19-15)7-5-11-18-20-16-9-3-4-10-17(16)21-18/h1-4,6,8-10,12,19H,5,7,11H2,(H,20,21)
InChIKeyBPTAUHCCAHMUDH-UHFFFAOYSA-N
XLogP4.22
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
CID 14761294
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
2-docosyl-1H-benzimidazole
CID 141189761
2-(3-chloropropyl)-1H-indole
CID 13271043
CID 87640795
CID 87640795
2-(6-naphthalen-1-ylhexyl)-1H-benzimidazole
CID 139672369
2-heptyl-1H-indole
CID 3719004
2-hexyl-1H-indole
CID 14299246
4-(1H-benzimidazol-2-yl)butanenitrile
CID 12683083
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole?
The IUPAC name of 2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole (CID 54246993) is 2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole is c1ccc2[nH]c(CCCc3nc4ccccc4[nH]3)cc2c1.
What is the InChIKey of 2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole?
The InChIKey is BPTAUHCCAHMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-8-15-13(6-1)12-14(19-15)7-5-11-18-20-16-9-3-4-10-17(16)21-18/h1-4,6,8-10,12,19H,5,7,11H2,(H,20,21).
What are the key properties of 2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole?
2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole has a molecular weight of 275.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-2-yl)propyl]-1H-benzimidazole is sourced from PubChem (CID 54246993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).