N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C20H21N3O4 — CID 24549096

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCn1c(CNC(=O)c2cc(OC)c3c(c2)OCCO3)nc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-3-23-15-7-5-4-6-14(15)22-18(23)12-21-20(24)13-10-16(25-2)19-17(11-13)26-8-9-27-19/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,24)
InChIKeyRMQRCASLASVBHM-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.77
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 24549096) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID24549096
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCn1c(CNC(=O)c2cc(OC)c3c(c2)OCCO3)nc2ccccc21
InChIInChI=1S/C20H21N3O4/c1-3-23-15-7-5-4-6-14(15)22-18(23)12-21-20(24)13-10-16(25-2)19-17(11-13)26-8-9-27-19/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,24)
InChIKeyRMQRCASLASVBHM-UHFFFAOYSA-N
XLogP2.77
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
N-[[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008648
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513
3-(cyclopropylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 18116770
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008526
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18093027
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008656
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 24549096) is N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is CCn1c(CNC(=O)c2cc(OC)c3c(c2)OCCO3)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is RMQRCASLASVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-23-15-7-5-4-6-14(15)22-18(23)12-21-20(24)13-10-16(25-2)19-17(11-13)26-8-9-27-19/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 24549096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).