6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole

C19H22N4O — CID 155211431

IUPAC6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole
SMILESCC(C)Oc1ccc(-c2ccc3nc(C4CCNC4)[nH]c3c2)cn1
InChIInChI=1S/C19H22N4O/c1-12(2)24-18-6-4-14(11-21-18)13-3-5-16-17(9-13)23-19(22-16)15-7-8-20-10-15/h3-6,9,11-12,15,20H,7-8,10H2,1-2H3,(H,22,23)
InChIKeyMGSICZBBUJJKRQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.49
Rot. Bonds4

About 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole

6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole (PubChem CID 155211431) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole
PubChem CID155211431
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole
SMILESCC(C)Oc1ccc(-c2ccc3nc(C4CCNC4)[nH]c3c2)cn1
InChIInChI=1S/C19H22N4O/c1-12(2)24-18-6-4-14(11-21-18)13-3-5-16-17(9-13)23-19(22-16)15-7-8-20-10-15/h3-6,9,11-12,15,20H,7-8,10H2,1-2H3,(H,22,23)
InChIKeyMGSICZBBUJJKRQ-UHFFFAOYSA-N
XLogP3.49
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole?
The IUPAC name of 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole (CID 155211431) is 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole.
What is the SMILES notation for 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole?
The canonical SMILES for 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole is CC(C)Oc1ccc(-c2ccc3nc(C4CCNC4)[nH]c3c2)cn1.
What is the InChIKey of 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole?
The InChIKey is MGSICZBBUJJKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12(2)24-18-6-4-14(11-21-18)13-3-5-16-17(9-13)23-19(22-16)15-7-8-20-10-15/h3-6,9,11-12,15,20H,7-8,10H2,1-2H3,(H,22,23).
What are the key properties of 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole?
6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole has a molecular weight of 322.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-3-yl-1H-benzimidazole is sourced from PubChem (CID 155211431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).