3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide

C22H24N4O — CID 97119273

IUPAC3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C2)c1
InChIInChI=1S/C22H24N4O/c23-22(27)20-3-1-2-18(13-20)12-19-8-10-25(15-19)14-17-4-6-21(7-5-17)26-11-9-24-16-26/h1-7,9,11,13,16,19H,8,10,12,14-15H2,(H2,23,27)/t19-/m1/s1
InChIKeyMWZBCBXCZYSBQC-LJQANCHMSA-N
MW360.46 g/mol
LogP3.04
Rot. Bonds6

About 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide

3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide (PubChem CID 97119273) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
PubChem CID97119273
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(C[C@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C2)c1
InChIInChI=1S/C22H24N4O/c23-22(27)20-3-1-2-18(13-20)12-19-8-10-25(15-19)14-17-4-6-21(7-5-17)26-11-9-24-16-26/h1-7,9,11,13,16,19H,8,10,12,14-15H2,(H2,23,27)/t19-/m1/s1
InChIKeyMWZBCBXCZYSBQC-LJQANCHMSA-N
XLogP3.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
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CID 95717628
3-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95708426
2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
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3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95708664
3-[[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methyl]benzamide
CID 154744472
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
3-[[(3R)-1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
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3-[[1-[4-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]methyl]benzamide
CID 56911445
3-[[1-(1,4-dithiepan-6-yl)pyrrolidin-3-yl]methyl]benzamide
CID 72851048
3-[[1-[2-(benzotriazol-2-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 56912426
3-[[(3R)-1-[2-(azepan-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide (CID 97119273) is 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide is NC(=O)c1cccc(C[C@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C2)c1.
What is the InChIKey of 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is MWZBCBXCZYSBQC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N4O/c23-22(27)20-3-1-2-18(13-20)12-19-8-10-25(15-19)14-17-4-6-21(7-5-17)26-11-9-24-16-26/h1-7,9,11,13,16,19H,8,10,12,14-15H2,(H2,23,27)/t19-/m1/s1.
What are the key properties of 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide?
3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 97119273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).