2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide

C20H21FN4O2 — CID 167760893

IUPAC2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide
SMILESCOc1cccc(-n2c(NC(=O)C(F)C3CCNC3)nc3ccccc32)c1
InChIInChI=1S/C20H21FN4O2/c1-27-15-6-4-5-14(11-15)25-17-8-3-2-7-16(17)23-20(25)24-19(26)18(21)13-9-10-22-12-13/h2-8,11,13,18,22H,9-10,12H2,1H3,(H,23,24,26)
InChIKeyPGDKQHLXERCEQI-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.92
Rot. Bonds5

About 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide

2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide (PubChem CID 167760893) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide
PubChem CID167760893
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide
SMILESCOc1cccc(-n2c(NC(=O)C(F)C3CCNC3)nc3ccccc32)c1
InChIInChI=1S/C20H21FN4O2/c1-27-15-6-4-5-14(11-15)25-17-8-3-2-7-16(17)23-20(25)24-19(26)18(21)13-9-10-22-12-13/h2-8,11,13,18,22H,9-10,12H2,1H3,(H,23,24,26)
InChIKeyPGDKQHLXERCEQI-UHFFFAOYSA-N
XLogP2.92
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120635454
(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
CID 99811453
4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide
CID 120563260
N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119939723
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
CID 119800349
N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800355
(2S,5R)-5-(aminomethyl)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794651
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836
2-methylsulfonyl-N-(1-phenylbenzimidazol-2-yl)propanamide
CID 56789277
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
2-(cyclopropylmethylamino)-N-(1-phenylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119732173
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide (CID 167760893) is 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide is COc1cccc(-n2c(NC(=O)C(F)C3CCNC3)nc3ccccc32)c1.
What is the InChIKey of 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide?
The InChIKey is PGDKQHLXERCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-27-15-6-4-5-14(11-15)25-17-8-3-2-7-16(17)23-20(25)24-19(26)18(21)13-9-10-22-12-13/h2-8,11,13,18,22H,9-10,12H2,1H3,(H,23,24,26).
What are the key properties of 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide?
2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide has a molecular weight of 368.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 167760893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).