4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C20H20Cl2N4O2 — CID 167952177

IUPAC4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)C1CNC(C(=O)Nc2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)C1.Cl
InChIInChI=1S/C20H19ClN4O2.ClH/c1-11(26)13-8-18(22-10-13)20(27)23-15-4-2-3-12(7-15)19-24-16-6-5-14(21)9-17(16)25-19;/h2-7,9,13,18,22H,8,10H2,1H3,(H,23,27)(H,24,25);1H
InChIKeyCZQBEXJFLCMSTI-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.81
Rot. Bonds4

About 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 167952177) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID167952177
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(=O)C1CNC(C(=O)Nc2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)C1.Cl
InChIInChI=1S/C20H19ClN4O2.ClH/c1-11(26)13-8-18(22-10-13)20(27)23-15-4-2-3-12(7-15)19-24-16-6-5-14(21)9-17(16)25-19;/h2-7,9,13,18,22H,8,10H2,1H3,(H,23,27)(H,24,25);1H
InChIKeyCZQBEXJFLCMSTI-UHFFFAOYSA-N
XLogP3.81
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
5-oxo-N-(2-phenyl-3H-benzimidazol-5-yl)pyrrolidine-2-carboxamide
CID 110796357
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
N-[3-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]oxolane-2-carboxamide
CID 2960902
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040998
N-[2-(3,5-diacetamidophenyl)-3H-benzimidazol-5-yl]acetamide
CID 1136428
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[4-[6-(1,3-thiazolidine-4-carbonylamino)-1H-benzimidazol-2-yl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 10310566
N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-2,5-dichlorobenzamide
CID 17104294
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 167952177) is 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is CC(=O)C1CNC(C(=O)Nc2cccc(-c3nc4ccc(Cl)cc4[nH]3)c2)C1.Cl.
What is the InChIKey of 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is CZQBEXJFLCMSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2.ClH/c1-11(26)13-8-18(22-10-13)20(27)23-15-4-2-3-12(7-15)19-24-16-6-5-14(21)9-17(16)25-19;/h2-7,9,13,18,22H,8,10H2,1H3,(H,23,27)(H,24,25);1H.
What are the key properties of 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 419.31 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-(6-chloro-1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 167952177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).