N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C16H27N3O — CID 90639933

IUPACN,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C16H27N3O/c1-11(2)8-19(9-12(3)4)16(20)13-5-6-14-15(7-13)18-10-17-14/h10-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyHHBKYDJUCBTBBX-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.66
Rot. Bonds5

About N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90639933) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90639933
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CCc2nc[nH]c2C1
InChIInChI=1S/C16H27N3O/c1-11(2)8-19(9-12(3)4)16(20)13-5-6-14-15(7-13)18-10-17-14/h10-13H,5-9H2,1-4H3,(H,17,18)
InChIKeyHHBKYDJUCBTBBX-UHFFFAOYSA-N
XLogP2.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90639933) is N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is CC(C)CN(CC(C)C)C(=O)C1CCc2nc[nH]c2C1.
What is the InChIKey of N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is HHBKYDJUCBTBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)8-19(9-12(3)4)16(20)13-5-6-14-15(7-13)18-10-17-14/h10-13H,5-9H2,1-4H3,(H,17,18).
What are the key properties of N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90639933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).