N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline

C14H11BrClN3S — CID 43673667

IUPACN-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline
SMILESClc1cccc(NCc2csc(Br)c2)c1-n1ccnc1
InChIInChI=1S/C14H11BrClN3S/c15-13-6-10(8-20-13)7-18-12-3-1-2-11(16)14(12)19-5-4-17-9-19/h1-6,8-9,18H,7H2
InChIKeyGNPSXCBMOJPWCC-UHFFFAOYSA-N
MW368.69 g/mol
LogP4.96
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline

N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline (PubChem CID 43673667) has the molecular formula C14H11BrClN3S and a molecular weight of 368.69 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline
PubChem CID43673667
Molecular FormulaC14H11BrClN3S
Molecular Weight368.69 g/mol
Exact Mass366.95
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline
SMILESClc1cccc(NCc2csc(Br)c2)c1-n1ccnc1
InChIInChI=1S/C14H11BrClN3S/c15-13-6-10(8-20-13)7-18-12-3-1-2-11(16)14(12)19-5-4-17-9-19/h1-6,8-9,18H,7H2
InChIKeyGNPSXCBMOJPWCC-UHFFFAOYSA-N
XLogP4.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.69
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-imidazol-1-ylaniline
CID 83089931
3-chloro-N-hexyl-2-imidazol-1-ylaniline
CID 43673598
1-(2-bromo-6-chlorophenyl)imidazole
CID 169336697
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-4-methylaniline
CID 43647053
N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441412
N-[(5-bromothiophen-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 47030408
3-chloro-N-heptan-4-yl-2-imidazol-1-ylaniline
CID 43673648
N-[(3,5-dichlorophenyl)methyl]-2-imidazol-1-ylaniline
CID 60789771
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
CID 79200005
N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine
CID 43646901
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline (CID 43673667) is N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline is Clc1cccc(NCc2csc(Br)c2)c1-n1ccnc1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline?
The InChIKey is GNPSXCBMOJPWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3S/c15-13-6-10(8-20-13)7-18-12-3-1-2-11(16)14(12)19-5-4-17-9-19/h1-6,8-9,18H,7H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline?
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline has a molecular weight of 368.69 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-3-chloro-2-imidazol-1-ylaniline is sourced from PubChem (CID 43673667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).