N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide

C18H19N3OS — CID 46650550

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
SMILESCn1ccnc1C(NC(=O)CCc1ccsc1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-21-11-10-19-18(21)17(15-5-3-2-4-6-15)20-16(22)8-7-14-9-12-23-13-14/h2-6,9-13,17H,7-8H2,1H3,(H,20,22)
InChIKeyLNJUYPKMUJIDNO-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.32
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide (PubChem CID 46650550) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
PubChem CID46650550
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide
SMILESCn1ccnc1C(NC(=O)CCc1ccsc1)c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-21-11-10-19-18(21)17(15-5-3-2-4-6-15)20-16(22)8-7-14-9-12-23-13-14/h2-6,9-13,17H,7-8H2,1H3,(H,20,22)
InChIKeyLNJUYPKMUJIDNO-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-3-ylpropanamide
CID 18151131
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 18102285
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
4-(4-bromophenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 31357215
4-(5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 42937336
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
CID 46533040

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide (CID 46650550) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide is Cn1ccnc1C(NC(=O)CCc1ccsc1)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is LNJUYPKMUJIDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-21-11-10-19-18(21)17(15-5-3-2-4-6-15)20-16(22)8-7-14-9-12-23-13-14/h2-6,9-13,17H,7-8H2,1H3,(H,20,22).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 325.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 46650550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).