1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide

C16H20N4O — CID 119856062

IUPAC1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C16H20N4O/c1-20-10-9-18-14(20)12-5-4-6-13(11-12)19-15(21)16(17)7-2-3-8-16/h4-6,9-11H,2-3,7-8,17H2,1H3,(H,19,21)
InChIKeyHALVUKOETIDFCI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.30
Rot. Bonds3

About 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide

1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119856062) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID119856062
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C16H20N4O/c1-20-10-9-18-14(20)12-5-4-6-13(11-12)19-15(21)16(17)7-2-3-8-16/h4-6,9-11H,2-3,7-8,17H2,1H3,(H,19,21)
InChIKeyHALVUKOETIDFCI-UHFFFAOYSA-N
XLogP2.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 71938322
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119330027
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
N-[3-(1-methylimidazol-2-yl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 84584319
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
1-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119299864
N-[3-(1-methylimidazol-2-yl)phenyl]furan-2-carboxamide
CID 136578540
1-(2-hydroxyethyl)-1-methyl-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111453463
4-(1,3-dithian-2-yl)-N-[3-(1-methylimidazol-2-yl)phenyl]benzamide
CID 87008562
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129
1-cyclopropyl-1-(2-hydroxyethyl)-3-[3-(1-methylimidazol-2-yl)phenyl]urea
CID 111435009

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide (CID 119856062) is 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide is Cn1ccnc1-c1cccc(NC(=O)C2(N)CCCC2)c1.
What is the InChIKey of 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is HALVUKOETIDFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-10-9-18-14(20)12-5-4-6-13(11-12)19-15(21)16(17)7-2-3-8-16/h4-6,9-11H,2-3,7-8,17H2,1H3,(H,19,21).
What are the key properties of 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide?
1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119856062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).