[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

C16H18N4 — CID 116882112

IUPAC[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCc1[nH]c2ccccc2c1-c1cnc(C2(CN)CC2)[nH]1
InChIInChI=1S/C16H18N4/c1-10-14(11-4-2-3-5-12(11)19-10)13-8-18-15(20-13)16(9-17)6-7-16/h2-5,8,19H,6-7,9,17H2,1H3,(H,18,20)
InChIKeyUXIPWTKMUUCHTB-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.86
Rot. Bonds3

About [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine

[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (PubChem CID 116882112) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
PubChem CID116882112
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCc1[nH]c2ccccc2c1-c1cnc(C2(CN)CC2)[nH]1
InChIInChI=1S/C16H18N4/c1-10-14(11-4-2-3-5-12(11)19-10)13-8-18-15(20-13)16(9-17)6-7-16/h2-5,8,19H,6-7,9,17H2,1H3,(H,18,20)
InChIKeyUXIPWTKMUUCHTB-UHFFFAOYSA-N
XLogP2.86
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876786
3-(2-chloro-1H-imidazol-5-yl)-2-methyl-1H-indole
CID 116884405
[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882103
[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882144
[1-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882113
N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876967
3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-ol
CID 116878448
[1-[(2-methyl-1H-indol-3-yl)methyl]cyclopropyl]methanamine
CID 116928972
[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882338
2-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]butan-1-ol
CID 116882873
[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882117
[1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882099

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine (CID 116882112) is [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is Cc1[nH]c2ccccc2c1-c1cnc(C2(CN)CC2)[nH]1.
What is the InChIKey of [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is UXIPWTKMUUCHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-14(11-4-2-3-5-12(11)19-10)13-8-18-15(20-13)16(9-17)6-7-16/h2-5,8,19H,6-7,9,17H2,1H3,(H,18,20).
What are the key properties of [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116882112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).