N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide

C19H21N3O — CID 143135968

IUPACN-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1cc2[nH]c(NC(=O)c3ccccc3)nc2cc1C(C)(C)C
InChIInChI=1S/C19H21N3O/c1-12-10-15-16(11-14(12)19(2,3)4)21-18(20-15)22-17(23)13-8-6-5-7-9-13/h5-11H,1-4H3,(H2,20,21,22,23)
InChIKeyYEEOESMWQBCFJF-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.42
Rot. Bonds2

About N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide

N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide (PubChem CID 143135968) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide
PubChem CID143135968
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1cc2[nH]c(NC(=O)c3ccccc3)nc2cc1C(C)(C)C
InChIInChI=1S/C19H21N3O/c1-12-10-15-16(11-14(12)19(2,3)4)21-18(20-15)22-17(23)13-8-6-5-7-9-13/h5-11H,1-4H3,(H2,20,21,22,23)
InChIKeyYEEOESMWQBCFJF-UHFFFAOYSA-N
XLogP4.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-yl]benzamide
CID 166431499
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide
CID 72721823
N-[6-[6-(5-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]benzamide
CID 177417109
N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide
CID 57099013
N-(1H-benzimidazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 30476399
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 1474210
2-(4-tert-butylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563058
N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79934420
methyl 2-[(3-methylbenzoyl)amino]-3H-benzimidazole-5-carboxylate
CID 169214807
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-tert-butylbenzamide
CID 9111149

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide (CID 143135968) is N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide is Cc1cc2[nH]c(NC(=O)c3ccccc3)nc2cc1C(C)(C)C.
What is the InChIKey of N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide?
The InChIKey is YEEOESMWQBCFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-10-15-16(11-14(12)19(2,3)4)21-18(20-15)22-17(23)13-8-6-5-7-9-13/h5-11H,1-4H3,(H2,20,21,22,23).
What are the key properties of N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide?
N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-6-methyl-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 143135968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).