1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide

C14H18N4O2 — CID 18428060

IUPAC1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2c1nc(C1CCCN1)n2CCO
InChIInChI=1S/C14H18N4O2/c15-13(20)9-3-1-5-11-12(9)17-14(18(11)7-8-19)10-4-2-6-16-10/h1,3,5,10,16,19H,2,4,6-8H2,(H2,15,20)
InChIKeyWYQBTEGJARUEBC-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.55
Rot. Bonds4

About 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide

1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide (PubChem CID 18428060) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide
PubChem CID18428060
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2c1nc(C1CCCN1)n2CCO
InChIInChI=1S/C14H18N4O2/c15-13(20)9-3-1-5-11-12(9)17-14(18(11)7-8-19)10-4-2-6-16-10/h1,3,5,10,16,19H,2,4,6-8H2,(H2,15,20)
InChIKeyWYQBTEGJARUEBC-UHFFFAOYSA-N
XLogP0.55
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-2-piperidin-3-ylbenzimidazole-4-carboxamide
CID 18428242
2-(1-propylpiperidin-4-yl)-1-(2-pyrrolidin-1-ylethyl)benzimidazole-4-carboxamide
CID 18428071
4-fluoro-2-piperidin-2-yl-1-propylbenzimidazole
CID 60784787
2-amino-3-pyrrolidin-2-ylbenzamide
CID 18403954
1-hexyl-2-pyrrolidin-2-ylbenzimidazole
CID 175346334
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole-4-carboxamide
CID 18428086
1-propan-2-yl-2-(1-propylpyrrolidin-3-yl)benzimidazole-4-carboxamide
CID 18428172
4-oxo-3-phenyl-2-[(2S)-pyrrolidin-2-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 118446035
1-propan-2-yl-2-(1-propylpiperidin-3-yl)benzimidazole-4-carboxamide
CID 18428057
2-(1,4-diazepan-1-yl)-1-[2-(dimethylamino)ethyl]benzimidazole-4-carboxamide
CID 18428154
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
CID 154574752
1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-amine
CID 117253057

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide (CID 18428060) is 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide is NC(=O)c1cccc2c1nc(C1CCCN1)n2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide?
The InChIKey is WYQBTEGJARUEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-13(20)9-3-1-5-11-12(9)17-14(18(11)7-8-19)10-4-2-6-16-10/h1,3,5,10,16,19H,2,4,6-8H2,(H2,15,20).
What are the key properties of 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide?
1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-pyrrolidin-2-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 18428060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).