1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol

C22H26ClN5O — CID 66968497

IUPAC1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
SMILESOC1CN(c2nc3ccccc3[nH]2)CC1N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN5O/c23-17-7-5-16(6-8-17)13-26-9-11-27(12-10-26)20-14-28(15-21(20)29)22-24-18-3-1-2-4-19(18)25-22/h1-8,20-21,29H,9-15H2,(H,24,25)
InChIKeyMTGBZHIZTHPOSN-UHFFFAOYSA-N
MW411.94 g/mol
LogP2.58
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol

1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol (PubChem CID 66968497) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
PubChem CID66968497
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
SMILESOC1CN(c2nc3ccccc3[nH]2)CC1N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN5O/c23-17-7-5-16(6-8-17)13-26-9-11-27(12-10-26)20-14-28(15-21(20)29)22-24-18-3-1-2-4-19(18)25-22/h1-8,20-21,29H,9-15H2,(H,24,25)
InChIKeyMTGBZHIZTHPOSN-UHFFFAOYSA-N
XLogP2.58
TPSA58.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-1H-benzimidazole
CID 143256047
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-pyrimidin-2-ylpyrrolidin-3-ol
CID 66968326
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-ol
CID 66968405
(3R,4R)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluoronaphthalen-1-yl)pyrrolidin-3-ol
CID 58451033
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluoronaphthalen-1-yl)pyrrolidin-3-ol
CID 66968562
(3S,4S)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(7-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 58451135
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(7-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 66968484
1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 46359001
(3R,4R)-1-[4-(4-chloroanilino)pyrimidin-2-yl]-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol
CID 58451027
6-(1H-benzimidazol-2-yl)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 133410937
2-[(3R,4R)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-hydroxypyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 58683584
2-[4-(2-chloroethyl)piperazin-1-yl]-1H-benzimidazole
CID 63392230

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol (CID 66968497) is 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol is OC1CN(c2nc3ccccc3[nH]2)CC1N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol?
The InChIKey is MTGBZHIZTHPOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c23-17-7-5-16(6-8-17)13-26-9-11-27(12-10-26)20-14-28(15-21(20)29)22-24-18-3-1-2-4-19(18)25-22/h1-8,20-21,29H,9-15H2,(H,24,25).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol?
1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol has a molecular weight of 411.94 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 66968497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).