1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole

C23H29N3 — CID 18884998

IUPAC1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESCC(C)(C)c1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C23H29N3/c1-23(2,3)19-12-10-18(11-13-19)16-26-21-9-5-4-8-20(21)24-22(26)17-25-14-6-7-15-25/h4-5,8-13H,6-7,14-17H2,1-3H3
InChIKeyQEPULILMPRFRBX-UHFFFAOYSA-N
MW347.51 g/mol
LogP4.98
Rot. Bonds4

About 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole

1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole (PubChem CID 18884998) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
PubChem CID18884998
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
SMILESCC(C)(C)c1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C23H29N3/c1-23(2,3)19-12-10-18(11-13-19)16-26-21-9-5-4-8-20(21)24-22(26)17-25-14-6-7-15-25/h4-5,8-13H,6-7,14-17H2,1-3H3
InChIKeyQEPULILMPRFRBX-UHFFFAOYSA-N
XLogP4.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
1-[(4-tert-butylphenyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 18885452
methyl 4-[[2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]methyl]benzoate
CID 59172140
1-[(4-methylphenyl)methyl]-2-[(3,3,4,4-tetradeuteriopyrrolidin-1-yl)methyl]benzimidazole
CID 87065826
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
1-[(4-tert-butylphenyl)methyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997320

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole (CID 18884998) is 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole is CC(C)(C)c1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
The InChIKey is QEPULILMPRFRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-23(2,3)19-12-10-18(11-13-19)16-26-21-9-5-4-8-20(21)24-22(26)17-25-14-6-7-15-25/h4-5,8-13H,6-7,14-17H2,1-3H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole?
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole has a molecular weight of 347.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 18884998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).