N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide

C27H26ClN3O3 — CID 51066899

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
SMILESCCCC(C(=O)NCc1ccc2c(c1)OCO2)n1c(Cc2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C27H26ClN3O3/c1-2-6-23(27(32)29-16-19-11-12-24-25(14-19)34-17-33-24)31-22-10-4-3-9-21(22)30-26(31)15-18-7-5-8-20(28)13-18/h3-5,7-14,23H,2,6,15-17H2,1H3,(H,29,32)
InChIKeyNTGZXFWMPBKZRR-UHFFFAOYSA-N
MW475.98 g/mol
LogP5.67
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide (PubChem CID 51066899) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
PubChem CID51066899
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide
SMILESCCCC(C(=O)NCc1ccc2c(c1)OCO2)n1c(Cc2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C27H26ClN3O3/c1-2-6-23(27(32)29-16-19-11-12-24-25(14-19)34-17-33-24)31-22-10-4-3-9-21(22)30-26(31)15-18-7-5-8-20(28)13-18/h3-5,7-14,23H,2,6,15-17H2,1H3,(H,29,32)
InChIKeyNTGZXFWMPBKZRR-UHFFFAOYSA-N
XLogP5.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]propanamide
CID 51066920
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]pentanamide
CID 93301269
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93301281
(2R)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)pentanamide
CID 93301338
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
(2R)-N-cyclopropyl-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]pentanamide
CID 93301248
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-benzylsulfanylbenzimidazol-1-yl)propanamide
CID 25330692
(2S)-2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-1-morpholin-4-ylpentan-1-one
CID 93301285
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-2-ylmethyl)pentanamide
CID 93300092
N-(1,3-benzodioxol-5-ylmethyl)-2-indazol-1-ylbutanamide
CID 122176591
(2S)-2-[2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pentanamide
CID 98391592
(2S)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 93301259

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide (CID 51066899) is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide is CCCC(C(=O)NCc1ccc2c(c1)OCO2)n1c(Cc2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide?
The InChIKey is NTGZXFWMPBKZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-2-6-23(27(32)29-16-19-11-12-24-25(14-19)34-17-33-24)31-22-10-4-3-9-21(22)30-26(31)15-18-7-5-8-20(28)13-18/h3-5,7-14,23H,2,6,15-17H2,1H3,(H,29,32).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide has a molecular weight of 475.98 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]pentanamide is sourced from PubChem (CID 51066899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).