N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide

C25H32ClN3O2 — CID 18733389

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
SMILESCCCCn1c(CN(CCC(C)C)C(=O)c2cc(Cl)ccc2OC)nc2ccccc21
InChIInChI=1S/C25H32ClN3O2/c1-5-6-14-29-22-10-8-7-9-21(22)27-24(29)17-28(15-13-18(2)3)25(30)20-16-19(26)11-12-23(20)31-4/h7-12,16,18H,5-6,13-15,17H2,1-4H3
InChIKeyJRLSAHQIHYHIIN-UHFFFAOYSA-N
MW442.00 g/mol
LogP6.19
Rot. Bonds10

About N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 18733389) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
PubChem CID18733389
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
SMILESCCCCn1c(CN(CCC(C)C)C(=O)c2cc(Cl)ccc2OC)nc2ccccc21
InChIInChI=1S/C25H32ClN3O2/c1-5-6-14-29-22-10-8-7-9-21(22)27-24(29)17-28(15-13-18(2)3)25(30)20-16-19(26)11-12-23(20)31-4/h7-12,16,18H,5-6,13-15,17H2,1-4H3
InChIKeyJRLSAHQIHYHIIN-UHFFFAOYSA-N
XLogP6.19
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 ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733197
N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
CID 18733407
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339
2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
CID 18732623
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321
5-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733226
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide (CID 18733389) is N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide is CCCCn1c(CN(CCC(C)C)C(=O)c2cc(Cl)ccc2OC)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide?
The InChIKey is JRLSAHQIHYHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O2/c1-5-6-14-29-22-10-8-7-9-21(22)27-24(29)17-28(15-13-18(2)3)25(30)20-16-19(26)11-12-23(20)31-4/h7-12,16,18H,5-6,13-15,17H2,1-4H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide?
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide has a molecular weight of 442.00 g/mol, XLogP of 6.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18733389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).