2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 172818136

IUPAC2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride
SMILESCC(C)CCc1nc2ccc(C(N)=O)cc2n1CCC(C)C.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-12(2)5-8-17-20-15-7-6-14(18(19)22)11-16(15)21(17)10-9-13(3)4;;/h6-7,11-13H,5,8-10H2,1-4H3,(H2,19,22);2*1H
InChIKeyTVSKXXWFFQWXQI-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.61
Rot. Bonds7

About 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride

2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride (PubChem CID 172818136) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride
PubChem CID172818136
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride
SMILESCC(C)CCc1nc2ccc(C(N)=O)cc2n1CCC(C)C.Cl.Cl
InChIInChI=1S/C18H27N3O.2ClH/c1-12(2)5-8-17-20-15-7-6-14(18(19)22)11-16(15)21(17)10-9-13(3)4;;/h6-7,11-13H,5,8-10H2,1-4H3,(H2,19,22);2*1H
InChIKeyTVSKXXWFFQWXQI-UHFFFAOYSA-N
XLogP4.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride (CID 172818136) is 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride is CC(C)CCc1nc2ccc(C(N)=O)cc2n1CCC(C)C.Cl.Cl.
What is the InChIKey of 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride?
The InChIKey is TVSKXXWFFQWXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c1-12(2)5-8-17-20-15-7-6-14(18(19)22)11-16(15)21(17)10-9-13(3)4;;/h6-7,11-13H,5,8-10H2,1-4H3,(H2,19,22);2*1H.
What are the key properties of 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride?
2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-methylbutyl)benzimidazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 172818136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).