N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide

C25H32ClN3O2 — CID 18733977

IUPACN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2ccc(Cl)cc21
InChIInChI=1S/C25H32ClN3O2/c1-5-12-29-23-16-20(26)9-10-22(23)27-24(29)17-28(13-11-18(2)3)25(30)15-19-7-6-8-21(14-19)31-4/h6-10,14,16,18H,5,11-13,15,17H2,1-4H3
InChIKeyLFQHSIVNXHTHPP-UHFFFAOYSA-N
MW442.00 g/mol
LogP5.73
Rot. Bonds10

About N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide (PubChem CID 18733977) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide
PubChem CID18733977
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2ccc(Cl)cc21
InChIInChI=1S/C25H32ClN3O2/c1-5-12-29-23-16-20(26)9-10-22(23)27-24(29)17-28(13-11-18(2)3)25(30)15-19-7-6-8-21(14-19)31-4/h6-10,14,16,18H,5,11-13,15,17H2,1-4H3
InChIKeyLFQHSIVNXHTHPP-UHFFFAOYSA-N
XLogP5.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.00
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
CID 18732623
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide
CID 18733799
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide
CID 18733972
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
CID 18734468
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide?
The IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide (CID 18733977) is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide is CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2ccc(Cl)cc21.
What is the InChIKey of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide?
The InChIKey is LFQHSIVNXHTHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O2/c1-5-12-29-23-16-20(26)9-10-22(23)27-24(29)17-28(13-11-18(2)3)25(30)15-19-7-6-8-21(14-19)31-4/h6-10,14,16,18H,5,11-13,15,17H2,1-4H3.
What are the key properties of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide?
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide has a molecular weight of 442.00 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 18733977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).