[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine

C14H15ClN4 — CID 66407719

IUPAC[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine
SMILESCn1c(Cl)cnc1Cn1cc(CN)c2ccccc21
InChIInChI=1S/C14H15ClN4/c1-18-13(15)7-17-14(18)9-19-8-10(6-16)11-4-2-3-5-12(11)19/h2-5,7-8H,6,9,16H2,1H3
InChIKeyFBDGRDKYHSKHQT-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.54
Rot. Bonds3

About [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine

[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine (PubChem CID 66407719) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine
PubChem CID66407719
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine
SMILESCn1c(Cl)cnc1Cn1cc(CN)c2ccccc21
InChIInChI=1S/C14H15ClN4/c1-18-13(15)7-17-14(18)9-19-8-10(6-16)11-4-2-3-5-12(11)19/h2-5,7-8H,6,9,16H2,1H3
InChIKeyFBDGRDKYHSKHQT-UHFFFAOYSA-N
XLogP2.54
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]-N-methylmethanamine
CID 66407982
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407495
[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
CID 107045487
[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine
CID 112651068
(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride
CID 119057052
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanamine
CID 66409027
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methanamine
CID 66409935
[1-(3-methylbut-3-enyl)indol-3-yl]methanamine
CID 114477026
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
CID 66407282
2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
CID 170887891
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine
CID 66410337

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine?
The IUPAC name of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine (CID 66407719) is [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine?
The canonical SMILES for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine is Cn1c(Cl)cnc1Cn1cc(CN)c2ccccc21.
What is the InChIKey of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine?
The InChIKey is FBDGRDKYHSKHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-18-13(15)7-17-14(18)9-19-8-10(6-16)11-4-2-3-5-12(11)19/h2-5,7-8H,6,9,16H2,1H3.
What are the key properties of [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine?
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine has a molecular weight of 274.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 66407719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).