N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C21H18ClN3O2 — CID 42100737

IUPACN-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H18ClN3O2/c1-14(23-21(26)19-11-6-12-27-19)20-24-17-9-4-5-10-18(17)25(20)13-15-7-2-3-8-16(15)22/h2-12,14H,13H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyWUEZOPBJOSUMQZ-AWEZNQCLSA-N
MW379.85 g/mol
LogP4.82
Rot. Bonds5

About N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 42100737) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID42100737
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H18ClN3O2/c1-14(23-21(26)19-11-6-12-27-19)20-24-17-9-4-5-10-18(17)25(20)13-15-7-2-3-8-16(15)22/h2-12,14H,13H2,1H3,(H,23,26)/t14-/m0/s1
InChIKeyWUEZOPBJOSUMQZ-AWEZNQCLSA-N
XLogP4.82
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 7007875
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
N-[1-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973496
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619685
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 25345224
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
N-[1-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 17030166
N-[(1S)-1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 26864483

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 42100737) is N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is WUEZOPBJOSUMQZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(23-21(26)19-11-6-12-27-19)20-24-17-9-4-5-10-18(17)25(20)13-15-7-2-3-8-16(15)22/h2-12,14H,13H2,1H3,(H,23,26)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42100737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).