3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide

C17H24N4O2 — CID 131946837

IUPAC3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)n1c(CNC(=O)N2CCC(CO)C2)nc2ccccc21
InChIInChI=1S/C17H24N4O2/c1-12(2)21-15-6-4-3-5-14(15)19-16(21)9-18-17(23)20-8-7-13(10-20)11-22/h3-6,12-13,22H,7-11H2,1-2H3,(H,18,23)
InChIKeyPHDLAWGWXXMFJT-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.14
Rot. Bonds4

About 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 131946837) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID131946837
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(C)n1c(CNC(=O)N2CCC(CO)C2)nc2ccccc21
InChIInChI=1S/C17H24N4O2/c1-12(2)21-15-6-4-3-5-14(15)19-16(21)9-18-17(23)20-8-7-13(10-20)11-22/h3-6,12-13,22H,7-11H2,1-2H3,(H,18,23)
InChIKeyPHDLAWGWXXMFJT-UHFFFAOYSA-N
XLogP2.14
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77094843
3-(hydroxymethyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443524
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 139008536
(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 125145269
2-(oxan-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 139007416
2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 99979307
(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124822913
2-amino-2-(oxan-4-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide;dihydrochloride
CID 120800815
N-(2-phenylethyl)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carboxamide
CID 83272991
(3S)-3-[(dimethylamino)methyl]-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 99626639
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide (CID 131946837) is 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide is CC(C)n1c(CNC(=O)N2CCC(CO)C2)nc2ccccc21.
What is the InChIKey of 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is PHDLAWGWXXMFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)21-15-6-4-3-5-14(15)19-16(21)9-18-17(23)20-8-7-13(10-20)11-22/h3-6,12-13,22H,7-11H2,1-2H3,(H,18,23).
What are the key properties of 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 131946837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).