N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide

C25H24ClN3O3 — CID 25348175

IUPACN-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H24ClN3O3/c26-20-12-10-18(11-13-20)16-32-17-21(30)15-29-23-9-5-4-8-22(23)28-24(29)14-27-25(31)19-6-2-1-3-7-19/h1-13,21,30H,14-17H2,(H,27,31)/t21-/m1/s1
InChIKeyRDNXRZPQJKCJQH-OAQYLSRUSA-N
MW449.94 g/mol
LogP4.20
Rot. Bonds9

About N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide

N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 25348175) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID25348175
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC NameN-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H24ClN3O3/c26-20-12-10-18(11-13-20)16-32-17-21(30)15-29-23-9-5-4-8-22(23)28-24(29)14-27-25(31)19-6-2-1-3-7-19/h1-13,21,30H,14-17H2,(H,27,31)/t21-/m1/s1
InChIKeyRDNXRZPQJKCJQH-OAQYLSRUSA-N
XLogP4.20
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
CID 25348176
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965557
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
N-[2-[1-[(2S)-3-(2,5-dichlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]benzamide
CID 26025328
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17009130
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide
CID 25406903
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide (CID 25348175) is N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide is O=C(NCc1nc2ccccc2n1C[C@@H](O)COCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is RDNXRZPQJKCJQH-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c26-20-12-10-18(11-13-20)16-32-17-21(30)15-29-23-9-5-4-8-22(23)28-24(29)14-27-25(31)19-6-2-1-3-7-19/h1-13,21,30H,14-17H2,(H,27,31)/t21-/m1/s1.
What are the key properties of N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide?
N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 449.94 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 25348175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).