1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide

C18H24N4O2 — CID 171994514

IUPAC1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
SMILESCn1c(N2CCC(C(=O)NC3CCOCC3)C2)nc2ccccc21
InChIInChI=1S/C18H24N4O2/c1-21-16-5-3-2-4-15(16)20-18(21)22-9-6-13(12-22)17(23)19-14-7-10-24-11-8-14/h2-5,13-14H,6-12H2,1H3,(H,19,23)
InChIKeyCUAYTOORYFSYDL-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.69
Rot. Bonds3

About 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide

1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide (PubChem CID 171994514) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
PubChem CID171994514
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
SMILESCn1c(N2CCC(C(=O)NC3CCOCC3)C2)nc2ccccc21
InChIInChI=1S/C18H24N4O2/c1-21-16-5-3-2-4-15(16)20-18(21)22-9-6-13(12-22)17(23)19-14-7-10-24-11-8-14/h2-5,13-14H,6-12H2,1H3,(H,19,23)
InChIKeyCUAYTOORYFSYDL-UHFFFAOYSA-N
XLogP1.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171994540
1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 16669340
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
1-(1-methylbenzimidazol-2-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 16675580
1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992660
N-cyclopentyl-2-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 171994814
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 46106770
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
1-(5-bromo-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992718
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide (CID 171994514) is 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide is Cn1c(N2CCC(C(=O)NC3CCOCC3)C2)nc2ccccc21.
What is the InChIKey of 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is CUAYTOORYFSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-16-5-3-2-4-15(16)20-18(21)22-9-6-13(12-22)17(23)19-14-7-10-24-11-8-14/h2-5,13-14H,6-12H2,1H3,(H,19,23).
What are the key properties of 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171994514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).