2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide

C24H22Cl2N4O — CID 42810631

IUPAC2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccncc1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C24H22Cl2N4O/c1-2-21(24(31)28-15-16-9-11-27-12-10-16)30-22-6-4-3-5-20(22)29-23(30)13-17-7-8-18(25)14-19(17)26/h3-12,14,21H,2,13,15H2,1H3,(H,28,31)
InChIKeyZVUAVOYCDMFTEF-UHFFFAOYSA-N
MW453.37 g/mol
LogP5.60
Rot. Bonds7

About 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide

2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 42810631) has the molecular formula C24H22Cl2N4O and a molecular weight of 453.37 g/mol. Its IUPAC name is 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide
PubChem CID42810631
Molecular FormulaC24H22Cl2N4O
Molecular Weight453.37 g/mol
Exact Mass452.12
IUPAC Name2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccncc1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21
InChIInChI=1S/C24H22Cl2N4O/c1-2-21(24(31)28-15-16-9-11-27-12-10-16)30-22-6-4-3-5-20(22)29-23(30)13-17-7-8-18(25)14-19(17)26/h3-12,14,21H,2,13,15H2,1H3,(H,28,31)
InChIKeyZVUAVOYCDMFTEF-UHFFFAOYSA-N
XLogP5.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 97037472
(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide
CID 93301338
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301248
(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 93301252
(2R)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 93301422
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
CID 42810626
(2S)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 98391592
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93300092
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide
CID 72937875
(2S)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 97037004
(2S)-2-[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 93301530

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide (CID 42810631) is 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide is CCC(C(=O)NCc1ccncc1)n1c(Cc2ccc(Cl)cc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is ZVUAVOYCDMFTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O/c1-2-21(24(31)28-15-16-9-11-27-12-10-16)30-22-6-4-3-5-20(22)29-23(30)13-17-7-8-18(25)14-19(17)26/h3-12,14,21H,2,13,15H2,1H3,(H,28,31).
What are the key properties of 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide?
2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 453.37 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 42810631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).