N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide

C26H35N5O2 — CID 90752452

IUPACN,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(C)CCN1c2ccc(C(=O)N(C)C)cc2NC1Cn1c(=O)n(C(C)C)c2ccccc21
InChIInChI=1S/C26H35N5O2/c1-17(2)13-14-29-21-12-11-19(25(32)28(5)6)15-20(21)27-24(29)16-30-22-9-7-8-10-23(22)31(18(3)4)26(30)33/h7-12,15,17-18,24,27H,13-14,16H2,1-6H3
InChIKeyACDIJJYJSUFNIM-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.39
Rot. Bonds7

About N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide

N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 90752452) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide
PubChem CID90752452
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide
SMILESCC(C)CCN1c2ccc(C(=O)N(C)C)cc2NC1Cn1c(=O)n(C(C)C)c2ccccc21
InChIInChI=1S/C26H35N5O2/c1-17(2)13-14-29-21-12-11-19(25(32)28(5)6)15-20(21)27-24(29)16-30-22-9-7-8-10-23(22)31(18(3)4)26(30)33/h7-12,15,17-18,24,27H,13-14,16H2,1-6H3
InChIKeyACDIJJYJSUFNIM-UHFFFAOYSA-N
XLogP4.39
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide (CID 90752452) is N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide is CC(C)CCN1c2ccc(C(=O)N(C)C)cc2NC1Cn1c(=O)n(C(C)C)c2ccccc21.
What is the InChIKey of N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is ACDIJJYJSUFNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-17(2)13-14-29-21-12-11-19(25(32)28(5)6)15-20(21)27-24(29)16-30-22-9-7-8-10-23(22)31(18(3)4)26(30)33/h7-12,15,17-18,24,27H,13-14,16H2,1-6H3.
What are the key properties of N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide?
N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]-2,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 90752452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).