3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide

C21H24N4O — CID 146075286

IUPAC3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide
SMILESCC(C)(C)c1nc2ccccc2n1C1CN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H24N4O/c1-21(2,3)19-23-17-11-7-8-12-18(17)25(19)16-13-24(14-16)20(26)22-15-9-5-4-6-10-15/h4-12,16H,13-14H2,1-3H3,(H,22,26)
InChIKeyNFWYKAMXHGZDMT-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.42
Rot. Bonds2

About 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide

3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide (PubChem CID 146075286) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide
PubChem CID146075286
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide
SMILESCC(C)(C)c1nc2ccccc2n1C1CN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H24N4O/c1-21(2,3)19-23-17-11-7-8-12-18(17)25(19)16-13-24(14-16)20(26)22-15-9-5-4-6-10-15/h4-12,16H,13-14H2,1-3H3,(H,22,26)
InChIKeyNFWYKAMXHGZDMT-UHFFFAOYSA-N
XLogP4.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide?
The IUPAC name of 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide (CID 146075286) is 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide.
What is the SMILES notation for 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide?
The canonical SMILES for 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide is CC(C)(C)c1nc2ccccc2n1C1CN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide?
The InChIKey is NFWYKAMXHGZDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(2,3)19-23-17-11-7-8-12-18(17)25(19)16-13-24(14-16)20(26)22-15-9-5-4-6-10-15/h4-12,16H,13-14H2,1-3H3,(H,22,26).
What are the key properties of 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide?
3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylbenzimidazol-1-yl)-N-phenylazetidine-1-carboxamide is sourced from PubChem (CID 146075286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).