N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide

C20H25N5O2 — CID 4898808

IUPACN-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide
SMILESCN1CCN(CCc2nc3cc(NC(=O)c4ccco4)ccc3n2C)CC1
InChIInChI=1S/C20H25N5O2/c1-23-9-11-25(12-10-23)8-7-19-22-16-14-15(5-6-17(16)24(19)2)21-20(26)18-4-3-13-27-18/h3-6,13-14H,7-12H2,1-2H3,(H,21,26)
InChIKeyYWOLCQNHQFUPMG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.21
Rot. Bonds5

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

N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide (PubChem CID 4898808) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide
PubChem CID4898808
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide
SMILESCN1CCN(CCc2nc3cc(NC(=O)c4ccco4)ccc3n2C)CC1
InChIInChI=1S/C20H25N5O2/c1-23-9-11-25(12-10-23)8-7-19-22-16-14-15(5-6-17(16)24(19)2)21-20(26)18-4-3-13-27-18/h3-6,13-14H,7-12H2,1-2H3,(H,21,26)
InChIKeyYWOLCQNHQFUPMG-UHFFFAOYSA-N
XLogP2.21
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

AC1903
CID 667146
N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
CID 3164555
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-(furan-2-yl)methanone
CID 10833139
N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
CID 828702
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 655022
N-[4-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 763448
N-(2-phenyl-1H-benzimidazol-5-yl)furan-2-carboxamide
CID 1084669
N-[(1H-1,3-benzodiazol-2-yl)methyl]furan-2-carboxamide
CID 659559
N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 2192323
N-(1-isopropyl-1H-benzimidazol-5-yl)-2-furamide
CID 828710
Furan-2-carboxylic acid (1-tert-butyl-1H-benzoimidazol-5-yl)-amide
CID 828711

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide (CID 4898808) is N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide is CN1CCN(CCc2nc3cc(NC(=O)c4ccco4)ccc3n2C)CC1.
What is the InChIKey of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide?
The InChIKey is YWOLCQNHQFUPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23-9-11-25(12-10-23)8-7-19-22-16-14-15(5-6-17(16)24(19)2)21-20(26)18-4-3-13-27-18/h3-6,13-14H,7-12H2,1-2H3,(H,21,26).
What are the key properties of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide?
N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 4898808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).