N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide

C23H26FN3O3 — CID 18733560

IUPACN-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2c(F)cccc21
InChIInChI=1S/C23H26FN3O3/c1-4-10-27-18-7-5-6-17(24)22(18)25-21(27)13-26(12-15(2)3)23(28)16-8-9-19-20(11-16)30-14-29-19/h5-9,11,15H,4,10,12-14H2,1-3H3
InChIKeyJEHBRMRPPOZGEQ-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.61
Rot. Bonds7

About N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide

N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 18733560) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
PubChem CID18733560
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2c(F)cccc21
InChIInChI=1S/C23H26FN3O3/c1-4-10-27-18-7-5-6-17(24)22(18)25-21(27)13-26(12-15(2)3)23(28)16-8-9-19-20(11-16)30-14-29-19/h5-9,11,15H,4,10,12-14H2,1-3H3
InChIKeyJEHBRMRPPOZGEQ-UHFFFAOYSA-N
XLogP4.61
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732740
3-chloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(3-methylbutyl)benzamide
CID 18732933
N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 18734542
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559
3-bromo-N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18732892
3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 18733036
N-(2-methylpropyl)-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734629
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-methylsulfanylbenzamide
CID 18733972
2,5-dichloro-N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide
CID 18732505
2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732433
3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 159808543
N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
CID 18733321

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide (CID 18733560) is N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is CCCn1c(CN(CC(C)C)C(=O)c2ccc3c(c2)OCO3)nc2c(F)cccc21.
What is the InChIKey of N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is JEHBRMRPPOZGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-4-10-27-18-7-5-6-17(24)22(18)25-21(27)13-26(12-15(2)3)23(28)16-8-9-19-20(11-16)30-14-29-19/h5-9,11,15H,4,10,12-14H2,1-3H3.
What are the key properties of N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide?
N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 18733560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).