N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide

C23H28ClN3O2 — CID 134083497

IUPACN-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
SMILESCCCCn1c(C(NC(=O)c2ccc(Cl)cc2)C(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C23H28ClN3O2/c1-5-6-13-27-20-14-18(29-4)11-12-19(20)25-22(27)21(15(2)3)26-23(28)16-7-9-17(24)10-8-16/h7-12,14-15,21H,5-6,13H2,1-4H3,(H,26,28)
InChIKeyPSLDTWOSCWWBET-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.63
Rot. Bonds8

About N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide

N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide (PubChem CID 134083497) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
PubChem CID134083497
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
SMILESCCCCn1c(C(NC(=O)c2ccc(Cl)cc2)C(C)C)nc2ccc(OC)cc21
InChIInChI=1S/C23H28ClN3O2/c1-5-6-13-27-20-14-18(29-4)11-12-19(20)25-22(27)21(15(2)3)26-23(28)16-7-9-17(24)10-8-16/h7-12,14-15,21H,5-6,13H2,1-4H3,(H,26,28)
InChIKeyPSLDTWOSCWWBET-UHFFFAOYSA-N
XLogP5.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide?
The IUPAC name of N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide (CID 134083497) is N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide is CCCCn1c(C(NC(=O)c2ccc(Cl)cc2)C(C)C)nc2ccc(OC)cc21.
What is the InChIKey of N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide?
The InChIKey is PSLDTWOSCWWBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-5-6-13-27-20-14-18(29-4)11-12-19(20)25-22(27)21(15(2)3)26-23(28)16-7-9-17(24)10-8-16/h7-12,14-15,21H,5-6,13H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide?
N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide has a molecular weight of 413.95 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butyl-6-methoxybenzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide is sourced from PubChem (CID 134083497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).