4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

C19H29N5O2 — CID 10760942

IUPAC4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCc1cccc2c1n(C(C)C)c(=O)n2C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C19H29N5O2/c1-14(2)23-17-15(3)6-5-7-16(17)24(19(23)26)18(25)20-8-9-22-12-10-21(4)11-13-22/h5-7,14H,8-13H2,1-4H3,(H,20,25)
InChIKeyFGOPZMFONBCRCY-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.50
Rot. Bonds4

About 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (PubChem CID 10760942) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
PubChem CID10760942
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCc1cccc2c1n(C(C)C)c(=O)n2C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C19H29N5O2/c1-14(2)23-17-15(3)6-5-7-16(17)24(19(23)26)18(25)20-8-9-22-12-10-21(4)11-13-22/h5-7,14H,8-13H2,1-4H3,(H,20,25)
InChIKeyFGOPZMFONBCRCY-UHFFFAOYSA-N
XLogP1.50
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (CID 10760942) is 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is Cc1cccc2c1n(C(C)C)c(=O)n2C(=O)NCCN1CCN(C)CC1.
What is the InChIKey of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The InChIKey is FGOPZMFONBCRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14(2)23-17-15(3)6-5-7-16(17)24(19(23)26)18(25)20-8-9-22-12-10-21(4)11-13-22/h5-7,14H,8-13H2,1-4H3,(H,20,25).
What are the key properties of 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is sourced from PubChem (CID 10760942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).