5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine

C22H30N4O — CID 67871878

IUPAC5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
SMILESNC(CCCCc1nc2ccccc2n1Cc1ccco1)N1CCCCC1
InChIInChI=1S/C22H30N4O/c23-21(25-14-6-1-7-15-25)12-4-5-13-22-24-19-10-2-3-11-20(19)26(22)17-18-9-8-16-27-18/h2-3,8-11,16,21H,1,4-7,12-15,17,23H2
InChIKeyCMQZGVQPXREEOS-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.16
Rot. Bonds8

About 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine

5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine (PubChem CID 67871878) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine.

Molecular Properties

Compound Name5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
PubChem CID67871878
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
SMILESNC(CCCCc1nc2ccccc2n1Cc1ccco1)N1CCCCC1
InChIInChI=1S/C22H30N4O/c23-21(25-14-6-1-7-15-25)12-4-5-13-22-24-19-10-2-3-11-20(19)26(22)17-18-9-8-16-27-18/h2-3,8-11,16,21H,1,4-7,12-15,17,23H2
InChIKeyCMQZGVQPXREEOS-UHFFFAOYSA-N
XLogP4.16
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.16
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

5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
CID 67872431
N-[5-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994758
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
3-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46310165
2-(2-chloroethyl)-1-(furan-2-ylmethyl)-5-methylbenzimidazole
CID 43666319
1-(1-ethylbenzimidazol-2-yl)-4-(furan-2-yl)butan-2-ol
CID 105111628
(3S)-1-(furan-2-ylmethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97282886
2-[3-(azepan-1-yl)propyl]-1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 18885639
2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310275
N-[5-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pentyl]furan-2-carboxamide
CID 16994757
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-amine
CID 79750125
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine?
The IUPAC name of 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine (CID 67871878) is 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine.
What is the SMILES notation for 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine?
The canonical SMILES for 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine is NC(CCCCc1nc2ccccc2n1Cc1ccco1)N1CCCCC1.
What is the InChIKey of 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine?
The InChIKey is CMQZGVQPXREEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c23-21(25-14-6-1-7-15-25)12-4-5-13-22-24-19-10-2-3-11-20(19)26(22)17-18-9-8-16-27-18/h2-3,8-11,16,21H,1,4-7,12-15,17,23H2.
What are the key properties of 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine?
5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine has a molecular weight of 366.51 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-ylmethyl)benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine is sourced from PubChem (CID 67871878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).