1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

C20H34N4O — CID 70773840

IUPAC1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(Cc2cnc(CC3CCCC3)[nH]2)C1
InChIInChI=1S/C20H34N4O/c25-20(15-23-9-4-1-5-10-23)8-11-24(16-20)14-18-13-21-19(22-18)12-17-6-2-3-7-17/h13,17,25H,1-12,14-16H2,(H,21,22)
InChIKeyDCXHUGNPBRKBPA-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.57
Rot. Bonds6

About 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol

1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 70773840) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID70773840
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
SMILESOC1(CN2CCCCC2)CCN(Cc2cnc(CC3CCCC3)[nH]2)C1
InChIInChI=1S/C20H34N4O/c25-20(15-23-9-4-1-5-10-23)8-11-24(16-20)14-18-13-21-19(22-18)12-17-6-2-3-7-17/h13,17,25H,1-12,14-16H2,(H,21,22)
InChIKeyDCXHUGNPBRKBPA-UHFFFAOYSA-N
XLogP2.57
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70741424
(3R*,4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,4-dimethylpiperidin-4-ol
CID 70775672
(4S)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72863024
(4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,3,4-trimethylpiperidin-4-ol
CID 72931447
1-(1H-Imidazol-4-ylmethyl)-3-(piperidin-1-ylmethyl)pyrrolidin-3-OL
CID 70710432
(4S)-1-(1H-imidazol-4-ylmethyl)-3,3,4-trimethyl-4-piperidinol
CID 72866596
(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72910348
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
2-[4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 45179437
1-[(2'-butyl-1H,1'H-2,4'-biimidazol-1-yl)methyl]cyclohexanol
CID 56867054
4-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-2-ethyl-1-isopropylpiperazine
CID 56900208

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol (CID 70773840) is 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is OC1(CN2CCCCC2)CCN(Cc2cnc(CC3CCCC3)[nH]2)C1.
What is the InChIKey of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is DCXHUGNPBRKBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c25-20(15-23-9-4-1-5-10-23)8-11-24(16-20)14-18-13-21-19(22-18)12-17-6-2-3-7-17/h13,17,25H,1-12,14-16H2,(H,21,22).
What are the key properties of 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol?
1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 346.52 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 70773840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).