2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide

C24H29BrClN3O2 — CID 18732623

IUPAC2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)c2cc(OC)ccc2Br)nc2ccc(Cl)cc21
InChIInChI=1S/C24H29BrClN3O2/c1-5-11-29-22-13-17(26)6-9-21(22)27-23(29)15-28(12-10-16(2)3)24(30)19-14-18(31-4)7-8-20(19)25/h6-9,13-14,16H,5,10-12,15H2,1-4H3
InChIKeyAGCCVLBEVALZKK-UHFFFAOYSA-N
MW506.87 g/mol
LogP6.56
Rot. Bonds9

About 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide

2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide (PubChem CID 18732623) has the molecular formula C24H29BrClN3O2 and a molecular weight of 506.87 g/mol. Its IUPAC name is 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
PubChem CID18732623
Molecular FormulaC24H29BrClN3O2
Molecular Weight506.87 g/mol
Exact Mass505.11
IUPAC Name2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide
SMILESCCCn1c(CN(CCC(C)C)C(=O)c2cc(OC)ccc2Br)nc2ccc(Cl)cc21
InChIInChI=1S/C24H29BrClN3O2/c1-5-11-29-22-13-17(26)6-9-21(22)27-23(29)15-28(12-10-16(2)3)24(30)19-14-18(31-4)7-8-20(19)25/h6-9,13-14,16H,5,10-12,15H2,1-4H3
InChIKeyAGCCVLBEVALZKK-UHFFFAOYSA-N
XLogP6.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.87
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-(3-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 18733977
2-bromo-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-pentylbenzamide
CID 18732618
N-[(1-butylbenzimidazol-2-yl)methyl]-5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733389
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
CID 18734468
3-bromo-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732827
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
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-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide (CID 18732623) is 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide is CCCn1c(CN(CCC(C)C)C(=O)c2cc(OC)ccc2Br)nc2ccc(Cl)cc21.
What is the InChIKey of 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide?
The InChIKey is AGCCVLBEVALZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrClN3O2/c1-5-11-29-22-13-17(26)6-9-21(22)27-23(29)15-28(12-10-16(2)3)24(30)19-14-18(31-4)7-8-20(19)25/h6-9,13-14,16H,5,10-12,15H2,1-4H3.
What are the key properties of 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide?
2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide has a molecular weight of 506.87 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18732623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).