N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide

C21H27N5O2 — CID 17236173

IUPACN-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide
SMILESCC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C21H27N5O2/c1-15(2)26-18-7-6-16(22-21(27)19-5-4-12-28-19)13-17(18)23-20(26)14-25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27)
InChIKeyFKXJVWPEGOKJLG-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.21
Rot. Bonds5

About N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide

N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide (PubChem CID 17236173) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide
PubChem CID17236173
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide
SMILESCC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C21H27N5O2/c1-15(2)26-18-7-6-16(22-21(27)19-5-4-12-28-19)13-17(18)23-20(26)14-25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27)
InChIKeyFKXJVWPEGOKJLG-UHFFFAOYSA-N
XLogP3.21
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide (CID 17236173) is N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide is CC(C)n1c(CN2CCN(C)CC2)nc2cc(NC(=O)c3ccco3)ccc21.
What is the InChIKey of N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is FKXJVWPEGOKJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15(2)26-18-7-6-16(22-21(27)19-5-4-12-28-19)13-17(18)23-20(26)14-25-10-8-24(3)9-11-25/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,22,27).
What are the key properties of N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide?
N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylbenzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 17236173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).