(2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride

C14H16ClN3O — CID 70189527

IUPAC(2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)C1C[C@@H]1c1cnc[nH]1
InChIInChI=1S/C14H15N3O.ClH/c18-14(16-7-10-4-2-1-3-5-10)12-6-11(12)13-8-15-9-17-13;/h1-5,8-9,11-12H,6-7H2,(H,15,17)(H,16,18);1H/t11-,12?;/m0./s1
InChIKeyFHNIHARYJHEKRV-YLIVSKOQSA-N
MW277.75 g/mol
LogP2.25
Rot. Bonds4

About (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride

(2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 70189527) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID70189527
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name(2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)C1C[C@@H]1c1cnc[nH]1
InChIInChI=1S/C14H15N3O.ClH/c18-14(16-7-10-4-2-1-3-5-10)12-6-11(12)13-8-15-9-17-13;/h1-5,8-9,11-12H,6-7H2,(H,15,17)(H,16,18);1H/t11-,12?;/m0./s1
InChIKeyFHNIHARYJHEKRV-YLIVSKOQSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-(2-cyclohexylethyl)-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 70189052
benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
CID 18395376
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980
(3S,4R)-N-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46215955
N-benzyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
CID 10685638
trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 97084371
(2R)-N-[(1R)-1-cyclohexylethyl]-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide
CID 22875229
1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 843472

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride (CID 70189527) is (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)C1C[C@@H]1c1cnc[nH]1.
What is the InChIKey of (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is FHNIHARYJHEKRV-YLIVSKOQSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c18-14(16-7-10-4-2-1-3-5-10)12-6-11(12)13-8-15-9-17-13;/h1-5,8-9,11-12H,6-7H2,(H,15,17)(H,16,18);1H/t11-,12?;/m0./s1.
What are the key properties of (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride?
(2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(1H-imidazol-5-yl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 70189527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).