1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea

C19H25N5O — CID 95933124

IUPAC1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)N[C@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C19H25N5O/c25-19(23-17-11-16(17)15-4-2-1-3-5-15)22-12-14-6-7-21-18(10-14)24-9-8-20-13-24/h6-10,13,15-17H,1-5,11-12H2,(H2,22,23,25)/t16-,17-/m0/s1
InChIKeyDVTRVAMDKYLZTO-IRXDYDNUSA-N
MW339.44 g/mol
LogP3.04
Rot. Bonds5

About 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea

1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea (PubChem CID 95933124) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
PubChem CID95933124
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)N[C@H]1C[C@H]1C1CCCCC1
InChIInChI=1S/C19H25N5O/c25-19(23-17-11-16(17)15-4-2-1-3-5-15)22-12-14-6-7-21-18(10-14)24-9-8-20-13-24/h6-10,13,15-17H,1-5,11-12H2,(H2,22,23,25)/t16-,17-/m0/s1
InChIKeyDVTRVAMDKYLZTO-IRXDYDNUSA-N
XLogP3.04
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
CID 110933396
4-cyclohexyl-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]benzamide
CID 60526309
1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea
CID 168955797
(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
CID 119859955
(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 94565002
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(2-hydroxycyclohexyl)urea
CID 111108523
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea
CID 109398554
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168892581
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868402
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-[[2-[4-(trifluoromethyl)imidazol-1-yl]-4-pyridinyl]methyl]urea
CID 168892247

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea (CID 95933124) is 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea is O=C(NCc1ccnc(-n2ccnc2)c1)N[C@H]1C[C@H]1C1CCCCC1.
What is the InChIKey of 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is DVTRVAMDKYLZTO-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(23-17-11-16(17)15-4-2-1-3-5-15)22-12-14-6-7-21-18(10-14)24-9-8-20-13-24/h6-10,13,15-17H,1-5,11-12H2,(H2,22,23,25)/t16-,17-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea?
1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 95933124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).