N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide

C23H23N3O3 — CID 42100824

IUPACN-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-17(24-23(27)21-13-7-15-29-21)22-25-19-11-5-6-12-20(19)26(22)14-8-16-28-18-9-3-2-4-10-18/h2-7,9-13,15,17H,8,14,16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyCHFNIWLRHAVLQX-QGZVFWFLSA-N
MW389.46 g/mol
LogP4.59
Rot. Bonds8

About N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 42100824) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID42100824
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C23H23N3O3/c1-17(24-23(27)21-13-7-15-29-21)22-25-19-11-5-6-12-20(19)26(22)14-8-16-28-18-9-3-2-4-10-18/h2-7,9-13,15,17H,8,14,16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyCHFNIWLRHAVLQX-QGZVFWFLSA-N
XLogP4.59
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100825
N-[1-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619700
N-[(1S)-1-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100853
N-[1-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619279
N-[1-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973541
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-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973574
N-[(1R)-1-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 93076028
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619714
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
N-[(1S)-1-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100788

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 42100824) is N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is CHFNIWLRHAVLQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17(24-23(27)21-13-7-15-29-21)22-25-19-11-5-6-12-20(19)26(22)14-8-16-28-18-9-3-2-4-10-18/h2-7,9-13,15,17H,8,14,16H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42100824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).