N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine

C21H25ClFN3 — CID 143552577

IUPACN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCN(CCCc1ccc(F)cc1)Cc1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C21H25ClFN3/c1-3-12-26(13-4-5-16-6-9-18(23)10-7-16)15-21-24-19-11-8-17(22)14-20(19)25(21)2/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyUFFLXUHILFJIQP-UHFFFAOYSA-N
MW373.90 g/mol
LogP5.21
Rot. Bonds8

About N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine

N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine (PubChem CID 143552577) has the molecular formula C21H25ClFN3 and a molecular weight of 373.90 g/mol. Its IUPAC name is N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine
PubChem CID143552577
Molecular FormulaC21H25ClFN3
Molecular Weight373.90 g/mol
Exact Mass373.17
IUPAC NameN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine
SMILESCCCN(CCCc1ccc(F)cc1)Cc1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C21H25ClFN3/c1-3-12-26(13-4-5-16-6-9-18(23)10-7-16)15-21-24-19-11-8-17(22)14-20(19)25(21)2/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyUFFLXUHILFJIQP-UHFFFAOYSA-N
XLogP5.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.90
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine?
The IUPAC name of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine (CID 143552577) is N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine.
What is the SMILES notation for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine?
The canonical SMILES for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine is CCCN(CCCc1ccc(F)cc1)Cc1nc2ccc(Cl)cc2n1C.
What is the InChIKey of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine?
The InChIKey is UFFLXUHILFJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3/c1-3-12-26(13-4-5-16-6-9-18(23)10-7-16)15-21-24-19-11-8-17(22)14-20(19)25(21)2/h6-11,14H,3-5,12-13,15H2,1-2H3.
What are the key properties of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine?
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine has a molecular weight of 373.90 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(4-fluorophenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 143552577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).