4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide

C26H35N5O — CID 17236238

IUPAC4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C26H35N5O/c1-6-31-23-12-11-21(27-25(32)19-7-9-20(10-8-19)26(2,3)4)17-22(23)28-24(31)18-30-15-13-29(5)14-16-30/h7-12,17H,6,13-16,18H2,1-5H3,(H,27,32)
InChIKeyLSDBKTCHOLNZRA-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.35
Rot. Bonds5

About 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide

4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (PubChem CID 17236238) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
PubChem CID17236238
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C26H35N5O/c1-6-31-23-12-11-21(27-25(32)19-7-9-20(10-8-19)26(2,3)4)17-22(23)28-24(31)18-30-15-13-29(5)14-16-30/h7-12,17H,6,13-16,18H2,1-5H3,(H,27,32)
InChIKeyLSDBKTCHOLNZRA-UHFFFAOYSA-N
XLogP4.35
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (CID 17236238) is 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is CCn1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21.
What is the InChIKey of 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The InChIKey is LSDBKTCHOLNZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/c1-6-31-23-12-11-21(27-25(32)19-7-9-20(10-8-19)26(2,3)4)17-22(23)28-24(31)18-30-15-13-29(5)14-16-30/h7-12,17H,6,13-16,18H2,1-5H3,(H,27,32).
What are the key properties of 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide has a molecular weight of 433.60 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is sourced from PubChem (CID 17236238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).