1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole

C19H21N3 — CID 44551201

IUPAC1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole
SMILESCc1ccc(-n2c(N3CCCC3)nc3ccccc32)c(C)c1
InChIInChI=1S/C19H21N3/c1-14-9-10-17(15(2)13-14)22-18-8-4-3-7-16(18)20-19(22)21-11-5-6-12-21/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyDHDJSTBGMZLTDT-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.24
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole

1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole (PubChem CID 44551201) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole
PubChem CID44551201
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole
SMILESCc1ccc(-n2c(N3CCCC3)nc3ccccc32)c(C)c1
InChIInChI=1S/C19H21N3/c1-14-9-10-17(15(2)13-14)22-18-8-4-3-7-16(18)20-19(22)21-11-5-6-12-21/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKeyDHDJSTBGMZLTDT-UHFFFAOYSA-N
XLogP4.24
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-(4-methylphenyl)-2-piperidin-1-ylbenzimidazole
CID 50901634
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylbenzimidazole
CID 44551198
1-propan-2-yl-2-pyrrolidin-1-ylbenzimidazole
CID 10105231
N-cyclopropyl-2-[1-(2,4-dimethylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 71890946
3-methyl-4-(2-methylbenzimidazol-1-yl)aniline
CID 82513326
2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16987650
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
6-(2,4-dimethylphenyl)-5-methyl-1,10-diaza-5-azoniatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene
CID 159188717
3-methyl-4-[2-(2-methylphenyl)benzimidazol-1-yl]phenol
CID 57424050
2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole
CID 46310533
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
9-(2,4-dimethylphenyl)-1,3-dimethylcarbazole
CID 146638363

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole (CID 44551201) is 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole is Cc1ccc(-n2c(N3CCCC3)nc3ccccc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole?
The InChIKey is DHDJSTBGMZLTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-14-9-10-17(15(2)13-14)22-18-8-4-3-7-16(18)20-19(22)21-11-5-6-12-21/h3-4,7-10,13H,5-6,11-12H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole?
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole has a molecular weight of 291.40 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylbenzimidazole is sourced from PubChem (CID 44551201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).