[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone

C19H21N5O — CID 97220495

IUPAC[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccn1
InChIInChI=1S/C19H21N5O/c1-2-20-17-12-13(9-10-21-17)19(25)24-11-5-8-16(24)18-22-14-6-3-4-7-15(14)23-18/h3-4,6-7,9-10,12,16H,2,5,8,11H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyYVHGUBSQQHDVBE-INIZCTEOSA-N
MW335.41 g/mol
LogP3.37
Rot. Bonds4

About [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone

[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone (PubChem CID 97220495) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
PubChem CID97220495
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccn1
InChIInChI=1S/C19H21N5O/c1-2-20-17-12-13(9-10-21-17)19(25)24-11-5-8-16(24)18-22-14-6-3-4-7-15(14)23-18/h3-4,6-7,9-10,12,16H,2,5,8,11H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1
InChIKeyYVHGUBSQQHDVBE-INIZCTEOSA-N
XLogP3.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 51269960
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[2-(ethylamino)-4-pyridinyl]-[2-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 155953260
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 95893859
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone
CID 25388757
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 46952277
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 55453365
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25388924

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone?
The IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone (CID 97220495) is [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone?
The canonical SMILES for [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone is CCNc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)ccn1.
What is the InChIKey of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone?
The InChIKey is YVHGUBSQQHDVBE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-20-17-12-13(9-10-21-17)19(25)24-11-5-8-16(24)18-22-14-6-3-4-7-15(14)23-18/h3-4,6-7,9-10,12,16H,2,5,8,11H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1.
What are the key properties of [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone?
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone has a molecular weight of 335.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 97220495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).