N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide

C16H23N3O — CID 170698971

IUPACN,N-bis(2-methylpropyl)benzimidazole-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)n1cnc2ccccc21
InChIInChI=1S/C16H23N3O/c1-12(2)9-18(10-13(3)4)16(20)19-11-17-14-7-5-6-8-15(14)19/h5-8,11-13H,9-10H2,1-4H3
InChIKeyJSMKFDRTOVDFBE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.62
Rot. Bonds4

About N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide

N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide (PubChem CID 170698971) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)benzimidazole-1-carboxamide
PubChem CID170698971
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN,N-bis(2-methylpropyl)benzimidazole-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)n1cnc2ccccc21
InChIInChI=1S/C16H23N3O/c1-12(2)9-18(10-13(3)4)16(20)19-11-17-14-7-5-6-8-15(14)19/h5-8,11-13H,9-10H2,1-4H3
InChIKeyJSMKFDRTOVDFBE-UHFFFAOYSA-N
XLogP3.62
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide (CID 170698971) is N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide is CC(C)CN(CC(C)C)C(=O)n1cnc2ccccc21.
What is the InChIKey of N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide?
The InChIKey is JSMKFDRTOVDFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)9-18(10-13(3)4)16(20)19-11-17-14-7-5-6-8-15(14)19/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide?
N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 170698971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).