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

C26H27ClN4O — CID 51066946

IUPAC2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCCCC(C(=O)NCCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C26H27ClN4O/c1-2-9-24(26(32)29-17-15-20-11-7-8-16-28-20)31-23-14-6-5-13-22(23)30-25(31)18-19-10-3-4-12-21(19)27/h3-8,10-14,16,24H,2,9,15,17-18H2,1H3,(H,29,32)
InChIKeyDWPZWWCZNKYVHS-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.38
Rot. Bonds9

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

2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide (PubChem CID 51066946) has the molecular formula C26H27ClN4O and a molecular weight of 446.98 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
PubChem CID51066946
Molecular FormulaC26H27ClN4O
Molecular Weight446.98 g/mol
Exact Mass446.19
IUPAC Name2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
SMILESCCCC(C(=O)NCCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C26H27ClN4O/c1-2-9-24(26(32)29-17-15-20-11-7-8-16-28-20)31-23-14-6-5-13-22(23)30-25(31)18-19-10-3-4-12-21(19)27/h3-8,10-14,16,24H,2,9,15,17-18H2,1H3,(H,29,32)
InChIKeyDWPZWWCZNKYVHS-UHFFFAOYSA-N
XLogP5.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 93301252
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93300092
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93301281
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 93301259
(2S)-N-[(2R)-butan-2-yl]-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301604
(2R)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)butanamide
CID 97036999
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)-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-(furan-2-ylmethyl)pentanamide
CID 93301338
(2S)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-morpholin-4-ylpentanamide
CID 93301536

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide (CID 51066946) is 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide is CCCC(C(=O)NCCc1ccccn1)n1c(Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide?
The InChIKey is DWPZWWCZNKYVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O/c1-2-9-24(26(32)29-17-15-20-11-7-8-16-28-20)31-23-14-6-5-13-22(23)30-25(31)18-19-10-3-4-12-21(19)27/h3-8,10-14,16,24H,2,9,15,17-18H2,1H3,(H,29,32).
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide?
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide has a molecular weight of 446.98 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)pentanamide is sourced from PubChem (CID 51066946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).