N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine

C20H24ClN3 — CID 134084372

IUPACN-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3/c1-3-4-12-23(2)15-20-22-18-10-5-6-11-19(18)24(20)14-16-8-7-9-17(21)13-16/h5-11,13H,3-4,12,14-15H2,1-2H3
InChIKeyZSTVKJFSZIANBX-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.97
Rot. Bonds7

About N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine

N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine (PubChem CID 134084372) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
PubChem CID134084372
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc2ccccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3/c1-3-4-12-23(2)15-20-22-18-10-5-6-11-19(18)24(20)14-16-8-7-9-17(21)13-16/h5-11,13H,3-4,12,14-15H2,1-2H3
InChIKeyZSTVKJFSZIANBX-UHFFFAOYSA-N
XLogP4.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-6-chlorobenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084278
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
1-[(3-chlorophenyl)methyl]-2-methylsulfonylbenzimidazole
CID 16799897
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(3-chlorophenyl)methyl]-2-ethylbenzimidazol-5-amine
CID 62533807
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride
CID 171151744
1-Benzyl-2-heptadecyl-1H-benzimidazole,disulfo derivative,sodium salt
CID 90473584

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine (CID 134084372) is N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1nc2ccccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is ZSTVKJFSZIANBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3/c1-3-4-12-23(2)15-20-22-18-10-5-6-11-19(18)24(20)14-16-8-7-9-17(21)13-16/h5-11,13H,3-4,12,14-15H2,1-2H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine?
N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 341.89 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 134084372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).