N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide

C22H18N4O3 — CID 30867751

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccnc2)nc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N4O3/c27-21(24-11-15-7-8-19-20(10-15)29-14-28-19)13-26-18-6-2-1-5-17(18)25-22(26)16-4-3-9-23-12-16/h1-10,12H,11,13-14H2,(H,24,27)
InChIKeyZPPQQXDLYZSCMI-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.14
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide (PubChem CID 30867751) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide
PubChem CID30867751
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccnc2)nc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N4O3/c27-21(24-11-15-7-8-19-20(10-15)29-14-28-19)13-26-18-6-2-1-5-17(18)25-22(26)16-4-3-9-23-12-16/h1-10,12H,11,13-14H2,(H,24,27)
InChIKeyZPPQQXDLYZSCMI-UHFFFAOYSA-N
XLogP3.14
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 71899076
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 9291962
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 40511262
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1155099
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324360
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8916046
N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16526592
3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 51277028
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001024
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518052
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanylacetamide
CID 46325057

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide (CID 30867751) is N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2cccnc2)nc2ccccc21)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide?
The InChIKey is ZPPQQXDLYZSCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-21(24-11-15-7-8-19-20(10-15)29-14-28-19)13-26-18-6-2-1-5-17(18)25-22(26)16-4-3-9-23-12-16/h1-10,12H,11,13-14H2,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide has a molecular weight of 386.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 30867751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).