6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium

C14H18N3Re- — CID 149471958

IUPAC6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium
SMILESCC(C)c1ccc2nc(C3CCC[N-]3)[nH]c2c1.[Re]
InChIInChI=1S/C14H18N3.Re/c1-9(2)10-5-6-11-13(8-10)17-14(16-11)12-4-3-7-15-12;/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17);/q-1;
InChIKeyACDVDTVTWRQNLW-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.89
Rot. Bonds2

About 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium

6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium (PubChem CID 149471958) has the molecular formula C14H18N3Re- and a molecular weight of 414.53 g/mol. Its IUPAC name is 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium.

Molecular Properties

Compound Name6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium
PubChem CID149471958
Molecular FormulaC14H18N3Re-
Molecular Weight414.53 g/mol
Exact Mass415.11
IUPAC Name6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium
SMILESCC(C)c1ccc2nc(C3CCC[N-]3)[nH]c2c1.[Re]
InChIInChI=1S/C14H18N3.Re/c1-9(2)10-5-6-11-13(8-10)17-14(16-11)12-4-3-7-15-12;/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17);/q-1;
InChIKeyACDVDTVTWRQNLW-UHFFFAOYSA-N
XLogP3.89
TPSA42.78 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 162266881
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine
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2-chloro-4-[(3S)-3-(6-propan-2-yl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]benzonitrile
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(E)-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one
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2-(6-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 64812865
2-methoxy-1-(6-propan-2-yl-1H-benzimidazol-2-yl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium?
The IUPAC name of 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium (CID 149471958) is 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium.
What is the SMILES notation for 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium?
The canonical SMILES for 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium is CC(C)c1ccc2nc(C3CCC[N-]3)[nH]c2c1.[Re].
What is the InChIKey of 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium?
The InChIKey is ACDVDTVTWRQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N3.Re/c1-9(2)10-5-6-11-13(8-10)17-14(16-11)12-4-3-7-15-12;/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,16,17);/q-1;.
What are the key properties of 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium?
6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium has a molecular weight of 414.53 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-pyrrolidin-1-id-2-yl-1H-benzimidazole;rhenium is sourced from PubChem (CID 149471958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).