N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide

C24H26Cl2N4O2 — CID 146493989

IUPACN-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide
SMILESCOC(CCNC=O)CCc1ccc(Cl)c(Cc2nc3c(C)cc(C#N)cc3n2C)c1Cl
InChIInChI=1S/C24H26Cl2N4O2/c1-15-10-16(13-27)11-21-24(15)29-22(30(21)2)12-19-20(25)7-5-17(23(19)26)4-6-18(32-3)8-9-28-14-31/h5,7,10-11,14,18H,4,6,8-9,12H2,1-3H3,(H,28,31)
InChIKeyQCUJMMCVCCVVHG-UHFFFAOYSA-N
MW473.40 g/mol
LogP4.73
Rot. Bonds10

About N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide

N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide (PubChem CID 146493989) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide.

Molecular Properties

Compound NameN-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide
PubChem CID146493989
Molecular FormulaC24H26Cl2N4O2
Molecular Weight473.40 g/mol
Exact Mass472.14
IUPAC NameN-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide
SMILESCOC(CCNC=O)CCc1ccc(Cl)c(Cc2nc3c(C)cc(C#N)cc3n2C)c1Cl
InChIInChI=1S/C24H26Cl2N4O2/c1-15-10-16(13-27)11-21-24(15)29-22(30(21)2)12-19-20(25)7-5-17(23(19)26)4-6-18(32-3)8-9-28-14-31/h5,7,10-11,14,18H,4,6,8-9,12H2,1-3H3,(H,28,31)
InChIKeyQCUJMMCVCCVVHG-UHFFFAOYSA-N
XLogP4.73
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide?
The IUPAC name of N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide (CID 146493989) is N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide.
What is the SMILES notation for N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide?
The canonical SMILES for N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide is COC(CCNC=O)CCc1ccc(Cl)c(Cc2nc3c(C)cc(C#N)cc3n2C)c1Cl.
What is the InChIKey of N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide?
The InChIKey is QCUJMMCVCCVVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-15-10-16(13-27)11-21-24(15)29-22(30(21)2)12-19-20(25)7-5-17(23(19)26)4-6-18(32-3)8-9-28-14-31/h5,7,10-11,14,18H,4,6,8-9,12H2,1-3H3,(H,28,31).
What are the key properties of N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide?
N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide has a molecular weight of 473.40 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide is sourced from PubChem (CID 146493989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).