5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole

C14H17Cl2N3 — CID 82001516

IUPAC5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCCCC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCNC1
InChIInChI=1S/C14H17Cl2N3/c1-2-3-14(4-5-17-8-14)13-18-11-6-9(15)10(16)7-12(11)19-13/h6-7,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyBYBPXKBRZMSRRN-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.90
Rot. Bonds3

About 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole

5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole (PubChem CID 82001516) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole
PubChem CID82001516
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCCCC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCNC1
InChIInChI=1S/C14H17Cl2N3/c1-2-3-14(4-5-17-8-14)13-18-11-6-9(15)10(16)7-12(11)19-13/h6-7,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyBYBPXKBRZMSRRN-UHFFFAOYSA-N
XLogP3.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole (CID 82001516) is 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole is CCCC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCNC1.
What is the InChIKey of 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole?
The InChIKey is BYBPXKBRZMSRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-2-3-14(4-5-17-8-14)13-18-11-6-9(15)10(16)7-12(11)19-13/h6-7,17H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole?
5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole has a molecular weight of 298.22 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole is sourced from PubChem (CID 82001516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).