2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole

C14H24ClN3O — CID 99929827

IUPAC2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole
SMILESCCCCc1nc(Cl)c(CN2CC[C@H](COC)C2)[nH]1
InChIInChI=1S/C14H24ClN3O/c1-3-4-5-13-16-12(14(15)17-13)9-18-7-6-11(8-18)10-19-2/h11H,3-10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyUFJASRSQFBDELI-NSHDSACASA-N
MW285.82 g/mol
LogP2.87
Rot. Bonds7

About 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole

2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole (PubChem CID 99929827) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole
PubChem CID99929827
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole
SMILESCCCCc1nc(Cl)c(CN2CC[C@H](COC)C2)[nH]1
InChIInChI=1S/C14H24ClN3O/c1-3-4-5-13-16-12(14(15)17-13)9-18-7-6-11(8-18)10-19-2/h11H,3-10H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyUFJASRSQFBDELI-NSHDSACASA-N
XLogP2.87
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95502324
4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperazine-2-carboxylic acid
CID 56874821
4-[1-[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70752341
(1S,9S)-11-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118792438
(4aS,8aR)-6-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70715361
1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine
CID 10404561
N-[(3R,4S)-1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3-ethylpiperidin-4-yl]pyridine-4-carboxamide
CID 169420372
(3aS,6aS)-5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 70780165
5-[[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylic acid
CID 99960543
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 56701527
3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64570103
ethyl (3aR,4R,5S,7aR)-2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-5-methyl-1,3,3a,4,5,7a-hexahydroisoindole-4-carboxylate
CID 154816229

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole?
The IUPAC name of 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole (CID 99929827) is 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole.
What is the SMILES notation for 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole?
The canonical SMILES for 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole is CCCCc1nc(Cl)c(CN2CC[C@H](COC)C2)[nH]1.
What is the InChIKey of 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole?
The InChIKey is UFJASRSQFBDELI-NSHDSACASA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-4-5-13-16-12(14(15)17-13)9-18-7-6-11(8-18)10-19-2/h11H,3-10H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole?
2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole has a molecular weight of 285.82 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-imidazole is sourced from PubChem (CID 99929827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).