N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide

C22H27N3O — CID 3484106

IUPACN-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide
SMILESCCCC(NC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H27N3O/c1-5-8-19(20-23-17-9-6-7-10-18(17)24-20)25-21(26)15-11-13-16(14-12-15)22(2,3)4/h6-7,9-14,19H,5,8H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyIIEOIVJCHJRDKA-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.13
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide

N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide (PubChem CID 3484106) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide
PubChem CID3484106
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide
SMILESCCCC(NC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H27N3O/c1-5-8-19(20-23-17-9-6-7-10-18(17)24-20)25-21(26)15-11-13-16(14-12-15)22(2,3)4/h6-7,9-14,19H,5,8H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyIIEOIVJCHJRDKA-UHFFFAOYSA-N
XLogP5.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)butyl]-2-fluorobenzamide
CID 948873
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-ethylbenzamide
CID 4807139
N-[1-(1H-benzimidazol-2-yl)butyl]-3-nitrobenzamide
CID 4300836
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzamide
CID 3762861
N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide
CID 166563053
N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7998445
N-[1-(1H-benzimidazol-2-yl)pentyl]-2,6-dimethoxybenzamide
CID 4963983
N-[(1S)-1-(1H-benzimidazol-2-yl)-8-fluoro-7-oxooctyl]benzamide
CID 142932537
N-[1-(1H-benzimidazol-2-yl)propyl]-4-ethoxy-3-methylbenzamide
CID 86938286
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]pentanamide
CID 119836762
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95872440

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide (CID 3484106) is N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide is CCCC(NC(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide?
The InChIKey is IIEOIVJCHJRDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-5-8-19(20-23-17-9-6-7-10-18(17)24-20)25-21(26)15-11-13-16(14-12-15)22(2,3)4/h6-7,9-14,19H,5,8H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide?
N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide has a molecular weight of 349.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)butyl]-4-tert-butylbenzamide is sourced from PubChem (CID 3484106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).