N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide

C18H20N4O2 — CID 166314855

IUPACN-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc3nc(-c4ccoc4)[nH]c3c2)CCNCC1
InChIInChI=1S/C18H20N4O2/c1-18(5-7-19-8-6-18)17(23)20-13-2-3-14-15(10-13)22-16(21-14)12-4-9-24-11-12/h2-4,9-11,19H,5-8H2,1H3,(H,20,23)(H,21,22)
InChIKeyPFBXDQFJUSLDAB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.15
Rot. Bonds3

About N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide

N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide (PubChem CID 166314855) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide
PubChem CID166314855
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccc3nc(-c4ccoc4)[nH]c3c2)CCNCC1
InChIInChI=1S/C18H20N4O2/c1-18(5-7-19-8-6-18)17(23)20-13-2-3-14-15(10-13)22-16(21-14)12-4-9-24-11-12/h2-4,9-11,19H,5-8H2,1H3,(H,20,23)(H,21,22)
InChIKeyPFBXDQFJUSLDAB-UHFFFAOYSA-N
XLogP3.15
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxypiperidine-4-carboxamide
CID 119854454
N-hydroxy-2-methyl-6-[(4-methylpiperidine-4-carbonyl)amino]quinoline-3-carboxamide
CID 88883098
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
methyl 1-[[2-(furan-2-yl)-3H-benzimidazol-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 86795214
[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004543
N-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 4175168
N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896427
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121630
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55848768

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide (CID 166314855) is N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide is CC1(C(=O)Nc2ccc3nc(-c4ccoc4)[nH]c3c2)CCNCC1.
What is the InChIKey of N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide?
The InChIKey is PFBXDQFJUSLDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-18(5-7-19-8-6-18)17(23)20-13-2-3-14-15(10-13)22-16(21-14)12-4-9-24-11-12/h2-4,9-11,19H,5-8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide?
N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-3H-benzimidazol-5-yl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 166314855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).