2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide

C20H23N3O — CID 19166734

IUPAC2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C20H23N3O/c1-13(2)23(14(3)4)20(24)16-10-6-5-9-15(16)19-21-17-11-7-8-12-18(17)22-19/h5-14H,1-4H3,(H,21,22)
InChIKeyNWKBGUWMQBSNSJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.49
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide

2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide (PubChem CID 19166734) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
PubChem CID19166734
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1-c1nc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C20H23N3O/c1-13(2)23(14(3)4)20(24)16-10-6-5-9-15(16)19-21-17-11-7-8-12-18(17)22-19/h5-14H,1-4H3,(H,21,22)
InChIKeyNWKBGUWMQBSNSJ-UHFFFAOYSA-N
XLogP4.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588
2-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-di(propan-2-yl)benzamide
CID 74243884
[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915258
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
propan-2-yl 4-[2-(1H-benzimidazol-2-yl)phenyl]benzoate
CID 168554029
3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
CID 90027418
N-[3-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 738998
(1-oxo-1-phenothiazin-10-ylpropan-2-yl) 2-(1H-benzimidazol-2-yl)benzoate
CID 23803140
[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23999646
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23831631
N,N-di(propan-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 72868876

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide (CID 19166734) is 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1-c1nc2ccccc2[nH]1)C(C)C.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is NWKBGUWMQBSNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13(2)23(14(3)4)20(24)16-10-6-5-9-15(16)19-21-17-11-7-8-12-18(17)22-19/h5-14H,1-4H3,(H,21,22).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide?
2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 321.42 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 19166734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).