3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline

C15H14ClN3S — CID 43762036

IUPAC3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
SMILESCn1ccnc1C(Nc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C15H14ClN3S/c1-19-8-7-17-15(19)14(13-6-3-9-20-13)18-12-5-2-4-11(16)10-12/h2-10,14,18H,1H3
InChIKeyAEGDBYYJQRDWAP-UHFFFAOYSA-N
MW303.82 g/mol
LogP4.34
Rot. Bonds4

About 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline

3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline (PubChem CID 43762036) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
PubChem CID43762036
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
SMILESCn1ccnc1C(Nc1cccc(Cl)c1)c1cccs1
InChIInChI=1S/C15H14ClN3S/c1-19-8-7-17-15(19)14(13-6-3-9-20-13)18-12-5-2-4-11(16)10-12/h2-10,14,18H,1H3
InChIKeyAEGDBYYJQRDWAP-UHFFFAOYSA-N
XLogP4.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43775963
2-bromo-5-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 81270186
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
2-fluoro-5-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43772741
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265
2-(3-chloroanilino)-2-thiophen-2-ylethanol
CID 61346766
4-bromo-2-fluoro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline
CID 43759717
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967
2-N,2-N-dimethyl-1-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,2-diamine
CID 54913424
1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430449

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The IUPAC name of 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline (CID 43762036) is 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline.
What is the SMILES notation for 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The canonical SMILES for 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline is Cn1ccnc1C(Nc1cccc(Cl)c1)c1cccs1.
What is the InChIKey of 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
The InChIKey is AEGDBYYJQRDWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c1-19-8-7-17-15(19)14(13-6-3-9-20-13)18-12-5-2-4-11(16)10-12/h2-10,14,18H,1H3.
What are the key properties of 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline?
3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline has a molecular weight of 303.82 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]aniline is sourced from PubChem (CID 43762036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).