(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine

C14H17ClN4 — CID 96564403

IUPAC(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine
SMILESClc1cccc(N2CC[C@H](NCc3ncc[nH]3)C2)c1
InChIInChI=1S/C14H17ClN4/c15-11-2-1-3-13(8-11)19-7-4-12(10-19)18-9-14-16-5-6-17-14/h1-3,5-6,8,12,18H,4,7,9-10H2,(H,16,17)/t12-/m0/s1
InChIKeyLHBSTKCUYDUXLA-LBPRGKRZSA-N
MW276.77 g/mol
LogP2.43
Rot. Bonds4

About (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine

(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine (PubChem CID 96564403) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine
PubChem CID96564403
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine
SMILESClc1cccc(N2CC[C@H](NCc3ncc[nH]3)C2)c1
InChIInChI=1S/C14H17ClN4/c15-11-2-1-3-13(8-11)19-7-4-12(10-19)18-9-14-16-5-6-17-14/h1-3,5-6,8,12,18H,4,7,9-10H2,(H,16,17)/t12-/m0/s1
InChIKeyLHBSTKCUYDUXLA-LBPRGKRZSA-N
XLogP2.43
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 119126175
N-(1H-imidazol-2-ylmethyl)-1-[4-(3-methoxyphenyl)phenyl]piperidin-4-amine
CID 29183775
N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63823265
4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 119111639
(4S)-4-(1H-imidazol-2-ylmethylamino)-1-phenylpyrrolidin-2-one
CID 164635792
1-tert-butyl-N-(1H-imidazol-2-ylmethyl)piperidin-4-amine
CID 54976574
N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515
1-[(3S)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 96530358
(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine
CID 124559461
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119899530
1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)-5-methylpyrazol-4-amine
CID 75517573
(2R,4R)-1-benzyl-N-(1H-imidazol-2-ylmethyl)-2-methylpiperidin-4-amine
CID 96564285

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine (CID 96564403) is (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine is Clc1cccc(N2CC[C@H](NCc3ncc[nH]3)C2)c1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine?
The InChIKey is LHBSTKCUYDUXLA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-11-2-1-3-13(8-11)19-7-4-12(10-19)18-9-14-16-5-6-17-14/h1-3,5-6,8,12,18H,4,7,9-10H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine?
(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine has a molecular weight of 276.77 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 96564403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).