(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide

C25H25ClN4O — CID 93300092

IUPAC(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
SMILESCCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C25H25ClN4O/c1-2-9-23(25(31)28-17-19-11-7-8-15-27-19)30-22-14-6-5-13-21(22)29-24(30)16-18-10-3-4-12-20(18)26/h3-8,10-15,23H,2,9,16-17H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyMWWWDTSLUKQVLN-QHCPKHFHSA-N
MW432.96 g/mol
LogP5.33
Rot. Bonds8

About (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide

(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide (PubChem CID 93300092) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
PubChem CID93300092
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
SMILESCCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C25H25ClN4O/c1-2-9-23(25(31)28-17-19-11-7-8-15-27-19)30-22-14-6-5-13-21(22)29-24(30)16-18-10-3-4-12-20(18)26/h3-8,10-15,23H,2,9,16-17H2,1H3,(H,28,31)/t23-/m0/s1
InChIKeyMWWWDTSLUKQVLN-QHCPKHFHSA-N
XLogP5.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 51066946
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93301281
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 93301252
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 93301259
(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
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
CID 42810626
2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)butanamide
CID 42810631
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide (CID 93300092) is (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide is CCC[C@@H](C(=O)NCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide?
The InChIKey is MWWWDTSLUKQVLN-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-2-9-23(25(31)28-17-19-11-7-8-15-27-19)30-22-14-6-5-13-21(22)29-24(30)16-18-10-3-4-12-20(18)26/h3-8,10-15,23H,2,9,16-17H2,1H3,(H,28,31)/t23-/m0/s1.
What are the key properties of (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide?
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide has a molecular weight of 432.96 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide is sourced from PubChem (CID 93300092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).