N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

C23H28N4O3 — CID 16973567

IUPACN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc2ccccc2n1CCC(=O)N1CCCCCC1
InChIInChI=1S/C23H28N4O3/c1-17(24-23(29)20-11-8-16-30-20)22-25-18-9-4-5-10-19(18)27(22)15-12-21(28)26-13-6-2-3-7-14-26/h4-5,8-11,16-17H,2-3,6-7,12-15H2,1H3,(H,24,29)
InChIKeyISZJNAIPOYLTLM-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.91
Rot. Bonds6

About N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide

N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 16973567) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID16973567
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1nc2ccccc2n1CCC(=O)N1CCCCCC1
InChIInChI=1S/C23H28N4O3/c1-17(24-23(29)20-11-8-16-30-20)22-25-18-9-4-5-10-19(18)27(22)15-12-21(28)26-13-6-2-3-7-14-26/h4-5,8-11,16-17H,2-3,6-7,12-15H2,1H3,(H,24,29)
InChIKeyISZJNAIPOYLTLM-UHFFFAOYSA-N
XLogP3.91
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972651
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968227
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-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963892
N-[(1S)-1-(1-hexylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 7082664
N-[1-[1-(cyclohexylmethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 43837396
N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973566
N-[(1R)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100824
N-[(1S)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100825
N-[1-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619685
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide (CID 16973567) is N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1nc2ccccc2n1CCC(=O)N1CCCCCC1.
What is the InChIKey of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is ISZJNAIPOYLTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(24-23(29)20-11-8-16-30-20)22-25-18-9-4-5-10-19(18)27(22)15-12-21(28)26-13-6-2-3-7-14-26/h4-5,8-11,16-17H,2-3,6-7,12-15H2,1H3,(H,24,29).
What are the key properties of N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide?
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 16973567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).