3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea

C17H25N5O — CID 136527613

IUPAC3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
SMILESCC(C)CN(C(=O)NCc1ccnc(-n2ccnc2)c1)C(C)C
InChIInChI=1S/C17H25N5O/c1-13(2)11-22(14(3)4)17(23)20-10-15-5-6-19-16(9-15)21-8-7-18-12-21/h5-9,12-14H,10-11H2,1-4H3,(H,20,23)
InChIKeyDCRVLFOQZOTAPR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.84
Rot. Bonds6

About 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea

3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea (PubChem CID 136527613) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
PubChem CID136527613
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
SMILESCC(C)CN(C(=O)NCc1ccnc(-n2ccnc2)c1)C(C)C
InChIInChI=1S/C17H25N5O/c1-13(2)11-22(14(3)4)17(23)20-10-15-5-6-19-16(9-15)21-8-7-18-12-21/h5-9,12-14H,10-11H2,1-4H3,(H,20,23)
InChIKeyDCRVLFOQZOTAPR-UHFFFAOYSA-N
XLogP2.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methylurea
CID 109398554
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859956
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methyl-1-(3-methylsulfanylcyclopentyl)urea
CID 71920804
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 134813239
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
3-chloro-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-5-methoxy-4-(3-methylbutoxy)benzamide
CID 60592788
1-benzyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 110952946
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71868402
(1R)-1-(5-ethylfuran-2-yl)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]ethanamine
CID 97230857
1-(2-hydroxycyclohexyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
CID 110933396

Frequently Asked Questions

What is the IUPAC name of 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea?
The IUPAC name of 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea (CID 136527613) is 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea?
The canonical SMILES for 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea is CC(C)CN(C(=O)NCc1ccnc(-n2ccnc2)c1)C(C)C.
What is the InChIKey of 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea?
The InChIKey is DCRVLFOQZOTAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(2)11-22(14(3)4)17(23)20-10-15-5-6-19-16(9-15)21-8-7-18-12-21/h5-9,12-14H,10-11H2,1-4H3,(H,20,23).
What are the key properties of 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea?
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea has a molecular weight of 315.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea is sourced from PubChem (CID 136527613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).