4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide

C21H23FN4O — CID 1469458

IUPAC4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C21H23FN4O/c1-14-4-3-5-17(12-14)24-21(27)25-10-8-18(9-11-25)26-15(2)23-19-13-16(22)6-7-20(19)26/h3-7,12-13,18H,8-11H2,1-2H3,(H,24,27)
InChIKeyMODBSEKZAMQIPM-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.66
Rot. Bonds2

About 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide

4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 1469458) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID1469458
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1
InChIInChI=1S/C21H23FN4O/c1-14-4-3-5-17(12-14)24-21(27)25-10-8-18(9-11-25)26-15(2)23-19-13-16(22)6-7-20(19)26/h3-7,12-13,18H,8-11H2,1-2H3,(H,24,27)
InChIKeyMODBSEKZAMQIPM-UHFFFAOYSA-N
XLogP4.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 1469473
4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 22581912
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
2-cyclopropyl-1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 46109112
4-[4-(2-fluorophenoxy)piperidin-1-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 90616963
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
N-(2,4-difluorophenyl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286581
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 46286666

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (CID 1469458) is 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1.
What is the InChIKey of 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is MODBSEKZAMQIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-14-4-3-5-17(12-14)24-21(27)25-10-8-18(9-11-25)26-15(2)23-19-13-16(22)6-7-20(19)26/h3-7,12-13,18H,8-11H2,1-2H3,(H,24,27).
What are the key properties of 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1469458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).