2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

C22H27N3OS — CID 1470401

IUPAC2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)C(C)C
InChIInChI=1S/C22H27N3OS/c1-16(2)25(17(3)4)21(26)15-27-22-23-19-12-8-9-13-20(19)24(22)14-18-10-6-5-7-11-18/h5-13,16-17H,14-15H2,1-4H3
InChIKeyIBHSJOONMJWCRJ-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.82
Rot. Bonds7

About 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide

2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 1470401) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID1470401
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)C(C)C
InChIInChI=1S/C22H27N3OS/c1-16(2)25(17(3)4)21(26)15-27-22-23-19-12-8-9-13-20(19)24(22)14-18-10-6-5-7-11-18/h5-13,16-17H,14-15H2,1-4H3
InChIKeyIBHSJOONMJWCRJ-UHFFFAOYSA-N
XLogP4.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide (CID 1470401) is 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)C(C)C.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is IBHSJOONMJWCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-16(2)25(17(3)4)21(26)15-27-22-23-19-12-8-9-13-20(19)24(22)14-18-10-6-5-7-11-18/h5-13,16-17H,14-15H2,1-4H3.
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide?
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 381.55 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 1470401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).