carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine

C17H23N3O4 — CID 122553058

IUPACcarbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine
SMILESCOc1ccc(-n2cnc(C3CC3CCCN)c2)cc1.O=C(O)O
InChIInChI=1S/C16H21N3O.CH2O3/c1-20-14-6-4-13(5-7-14)19-10-16(18-11-19)15-9-12(15)3-2-8-17;2-1(3)4/h4-7,10-12,15H,2-3,8-9,17H2,1H3;(H2,2,3,4)
InChIKeyLWQZSYAEUMKJIG-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.95
Rot. Bonds6

About carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine

carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine (PubChem CID 122553058) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine.

Molecular Properties

Compound Namecarbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine
PubChem CID122553058
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Namecarbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine
SMILESCOc1ccc(-n2cnc(C3CC3CCCN)c2)cc1.O=C(O)O
InChIInChI=1S/C16H21N3O.CH2O3/c1-20-14-6-4-13(5-7-14)19-10-16(18-11-19)15-9-12(15)3-2-8-17;2-1(3)4/h4-7,10-12,15H,2-3,8-9,17H2,1H3;(H2,2,3,4)
InChIKeyLWQZSYAEUMKJIG-UHFFFAOYSA-N
XLogP2.95
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine 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

3-[2-[1-(1-benzofuran-5-yl)imidazol-4-yl]cyclopropyl]propan-1-amine;carbonic acid
CID 122552990
carbonic acid;3-[2-(1-pyridin-3-ylimidazol-4-yl)cyclopropyl]propan-1-amine
CID 122553045
cis-(1R,2S)-2-(3-aminopropyl)-1-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropane-1-carboxylic acid
CID 71184043
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
cis-ethyl (1S,2R)-2-(3-aminopropyl)-1-[1-(4-methylphenyl)imidazol-4-yl]cyclopropane-1-carboxylate
CID 71203333
cis-ethyl (1R,2S)-2-(3-aminopropyl)-1-[1-(4-methylphenyl)imidazol-4-yl]cyclopropane-1-carboxylate;hydrochloride
CID 141310794
N-[[1-(4-methoxyphenyl)imidazol-4-yl]methylidene]hydroxylamine
CID 71410965
2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid
CID 53390448
cis-(1R,2S)-2-(3-aminopropyl)-1-(1-pyridin-4-ylimidazol-4-yl)cyclopropane-1-carboxylic acid;hydrochloride
CID 71184123
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 63767656
4-(3-aminopropyl)-2-(4-methoxyphenyl)-5-methyl-4H-pyrazol-3-one
CID 63972233
4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694797

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine?
The IUPAC name of carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine (CID 122553058) is carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine.
What is the SMILES notation for carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine?
The canonical SMILES for carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine is COc1ccc(-n2cnc(C3CC3CCCN)c2)cc1.O=C(O)O.
What is the InChIKey of carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine?
The InChIKey is LWQZSYAEUMKJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.CH2O3/c1-20-14-6-4-13(5-7-14)19-10-16(18-11-19)15-9-12(15)3-2-8-17;2-1(3)4/h4-7,10-12,15H,2-3,8-9,17H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine?
carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine has a molecular weight of 333.39 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-[2-[1-(4-methoxyphenyl)imidazol-4-yl]cyclopropyl]propan-1-amine is sourced from PubChem (CID 122553058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).