N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide

C18H21N3O2 — CID 4754591

IUPACN-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-2-3-12-21-15-8-5-4-7-14(15)20-17(21)10-11-19-18(22)16-9-6-13-23-16/h4-9,13H,2-3,10-12H2,1H3,(H,19,22)
InChIKeyHXADWCYVASHKGW-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.40
Rot. Bonds7

About N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide

N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 4754591) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID4754591
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21
InChIInChI=1S/C18H21N3O2/c1-2-3-12-21-15-8-5-4-7-14(15)20-17(21)10-11-19-18(22)16-9-6-13-23-16/h4-9,13H,2-3,10-12H2,1H3,(H,19,22)
InChIKeyHXADWCYVASHKGW-UHFFFAOYSA-N
XLogP3.40
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Fuberidazole
CID 19756
AC1903
CID 667146
Isopropyl 4-(furan-2-yl)-2-methyl-4,10-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidine-3-carboxylate
CID 17198004
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
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
CID 806167
N-(2-phenyl-1H-benzimidazol-5-yl)furan-2-carboxamide
CID 1084669
2-(5-Methyl-2-furyl)benzimidazole
CID 827976

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide (CID 4754591) is N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is CCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21.
What is the InChIKey of N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is HXADWCYVASHKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-3-12-21-15-8-5-4-7-14(15)20-17(21)10-11-19-18(22)16-9-6-13-23-16/h4-9,13H,2-3,10-12H2,1H3,(H,19,22).
What are the key properties of N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide?
N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butylbenzimidazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4754591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).