1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine

C21H25ClN4 — CID 25031888

IUPAC1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccc(Cn3cnc4ccccc43)c(Cl)c2)C1
InChIInChI=1S/C21H25ClN4/c1-24(2)18-9-10-25(14-18)12-16-7-8-17(19(22)11-16)13-26-15-23-20-5-3-4-6-21(20)26/h3-8,11,15,18H,9-10,12-14H2,1-2H3
InChIKeyFSCHBUFEORTTSK-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.87
Rot. Bonds5

About 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine

1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 25031888) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID25031888
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccc(Cn3cnc4ccccc43)c(Cl)c2)C1
InChIInChI=1S/C21H25ClN4/c1-24(2)18-9-10-25(14-18)12-16-7-8-17(19(22)11-16)13-26-15-23-20-5-3-4-6-21(20)26/h3-8,11,15,18H,9-10,12-14H2,1-2H3
InChIKeyFSCHBUFEORTTSK-UHFFFAOYSA-N
XLogP3.87
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 25031888) is 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(Cc2ccc(Cn3cnc4ccccc43)c(Cl)c2)C1.
What is the InChIKey of 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is FSCHBUFEORTTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-24(2)18-9-10-25(14-18)12-16-7-8-17(19(22)11-16)13-26-15-23-20-5-3-4-6-21(20)26/h3-8,11,15,18H,9-10,12-14H2,1-2H3.
What are the key properties of 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 368.91 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(benzimidazol-1-ylmethyl)-3-chlorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 25031888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).