(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide

C25H24Cl2N4O — CID 93301281

IUPAC(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
SMILESCCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C25H24Cl2N4O/c1-2-7-23(25(32)29-16-18-8-5-6-13-28-18)31-22-10-4-3-9-21(22)30-24(31)15-17-11-12-19(26)20(27)14-17/h3-6,8-14,23H,2,7,15-16H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyBPJCTWIXSYQTOM-QHCPKHFHSA-N
MW467.40 g/mol
LogP5.99
Rot. Bonds8

About (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide

(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide (PubChem CID 93301281) has the molecular formula C25H24Cl2N4O and a molecular weight of 467.40 g/mol. Its IUPAC name is (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
PubChem CID93301281
Molecular FormulaC25H24Cl2N4O
Molecular Weight467.40 g/mol
Exact Mass466.13
IUPAC Name(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
SMILESCCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C25H24Cl2N4O/c1-2-7-23(25(32)29-16-18-8-5-6-13-28-18)31-22-10-4-3-9-21(22)30-24(31)15-17-11-12-19(26)20(27)14-17/h3-6,8-14,23H,2,7,15-16H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyBPJCTWIXSYQTOM-QHCPKHFHSA-N
XLogP5.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93300092
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 51066946
(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 93301252
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one
CID 93301285
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 51066899
(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide
CID 93301338
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 93301259
(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide
CID 93301536
2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methylphenyl)pentanamide
CID 51067007
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301248
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide (CID 93301281) is (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide is CCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2ccc(Cl)c(Cl)c2)nc2ccccc21.
What is the InChIKey of (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide?
The InChIKey is BPJCTWIXSYQTOM-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24Cl2N4O/c1-2-7-23(25(32)29-16-18-8-5-6-13-28-18)31-22-10-4-3-9-21(22)30-24(31)15-17-11-12-19(26)20(27)14-17/h3-6,8-14,23H,2,7,15-16H2,1H3,(H,29,32)/t23-/m0/s1.
What are the key properties of (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide?
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide has a molecular weight of 467.40 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide is sourced from PubChem (CID 93301281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).