(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide

C22H26ClN3O — CID 93301607

IUPAC(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
SMILESCCCNC(=O)[C@@H](CCC)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C22H26ClN3O/c1-3-9-20(22(27)24-14-4-2)26-19-13-8-7-12-18(19)25-21(26)15-16-10-5-6-11-17(16)23/h5-8,10-13,20H,3-4,9,14-15H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyWYMOOIUDMUBPMA-HXUWFJFHSA-N
MW383.92 g/mol
LogP5.15
Rot. Bonds8

About (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide

(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide (PubChem CID 93301607) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide.

Molecular Properties

Compound Name(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
PubChem CID93301607
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
SMILESCCCNC(=O)[C@@H](CCC)n1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C22H26ClN3O/c1-3-9-20(22(27)24-14-4-2)26-19-13-8-7-12-18(19)25-21(26)15-16-10-5-6-11-17(16)23/h5-8,10-13,20H,3-4,9,14-15H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyWYMOOIUDMUBPMA-HXUWFJFHSA-N
XLogP5.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[(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
(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-methoxyethyl)butanamide
CID 42810626
(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-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide
CID 93301338
(2S)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 98391592
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
CID 42810560
(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 (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide?
The IUPAC name of (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide (CID 93301607) is (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide.
What is the SMILES notation for (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide?
The canonical SMILES for (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide is CCCNC(=O)[C@@H](CCC)n1c(Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide?
The InChIKey is WYMOOIUDMUBPMA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-3-9-20(22(27)24-14-4-2)26-19-13-8-7-12-18(19)25-21(26)15-16-10-5-6-11-17(16)23/h5-8,10-13,20H,3-4,9,14-15H2,1-2H3,(H,24,27)/t20-/m1/s1.
What are the key properties of (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide?
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide has a molecular weight of 383.92 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide is sourced from PubChem (CID 93301607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).