[[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol

C19H25N5O2 — CID 148647398

IUPAC[[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol
SMILESCCCC1(c2ccc(OC)c3[nH]c(NC(O)c4cnn(C)c4)nc23)CC1
InChIInChI=1S/C19H25N5O2/c1-4-7-19(8-9-19)13-5-6-14(26-3)16-15(13)21-18(22-16)23-17(25)12-10-20-24(2)11-12/h5-6,10-11,17,25H,4,7-9H2,1-3H3,(H2,21,22,23)
InChIKeyNLFUQOCNXUITNQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.24
Rot. Bonds7

About [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol

[[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol (PubChem CID 148647398) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol
PubChem CID148647398
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol
SMILESCCCC1(c2ccc(OC)c3[nH]c(NC(O)c4cnn(C)c4)nc23)CC1
InChIInChI=1S/C19H25N5O2/c1-4-7-19(8-9-19)13-5-6-14(26-3)16-15(13)21-18(22-16)23-17(25)12-10-20-24(2)11-12/h5-6,10-11,17,25H,4,7-9H2,1-3H3,(H2,21,22,23)
InChIKeyNLFUQOCNXUITNQ-UHFFFAOYSA-N
XLogP3.24
TPSA87.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 75428716
N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 154589244
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[(2-methoxy-5-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65200292
[(4-methoxy-3-methylphenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105258318
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
N-[(5-chloro-2-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492434
ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 60991776
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088204
N-methyl-1-(1-methylpyrazol-4-yl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43635857
2-(2-methoxyanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 54890874

Frequently Asked Questions

What is the IUPAC name of [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol (CID 148647398) is [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol is CCCC1(c2ccc(OC)c3[nH]c(NC(O)c4cnn(C)c4)nc23)CC1.
What is the InChIKey of [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol?
The InChIKey is NLFUQOCNXUITNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-7-19(8-9-19)13-5-6-14(26-3)16-15(13)21-18(22-16)23-17(25)12-10-20-24(2)11-12/h5-6,10-11,17,25H,4,7-9H2,1-3H3,(H2,21,22,23).
What are the key properties of [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol?
[[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol has a molecular weight of 355.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[7-methoxy-4-(1-propylcyclopropyl)-1H-benzimidazol-2-yl]amino]-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 148647398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).