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

C21H25N3O2 — CID 43837396

IUPACN-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc2ccccc2n1CC1CCCCC1
InChIInChI=1S/C21H25N3O2/c1-15(22-21(25)19-12-7-13-26-19)20-23-17-10-5-6-11-18(17)24(20)14-16-8-3-2-4-9-16/h5-7,10-13,15-16H,2-4,8-9,14H2,1H3,(H,22,25)
InChIKeyXXJASNKSOPPAEX-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.70
Rot. Bonds5

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

N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 43837396) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID43837396
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc2ccccc2n1CC1CCCCC1
InChIInChI=1S/C21H25N3O2/c1-15(22-21(25)19-12-7-13-26-19)20-23-17-10-5-6-11-18(17)24(20)14-16-8-3-2-4-9-16/h5-7,10-13,15-16H,2-4,8-9,14H2,1H3,(H,22,25)
InChIKeyXXJASNKSOPPAEX-UHFFFAOYSA-N
XLogP4.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973567
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 25345224
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
N-[1-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973496
N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030166
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742
N-[(1S)-1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 26864483
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737
N-[(1S)-1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 7007875
N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100872

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 43837396) is N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc2ccccc2n1CC1CCCCC1.
What is the InChIKey of N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is XXJASNKSOPPAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(22-21(25)19-12-7-13-26-19)20-23-17-10-5-6-11-18(17)24(20)14-16-8-3-2-4-9-16/h5-7,10-13,15-16H,2-4,8-9,14H2,1H3,(H,22,25).
What are the key properties of N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 43837396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).