3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine

C19H20N6O — CID 50924931

IUPAC3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine
SMILESCCCn1cc(-c2cnc(N)c(-c3nc4ccc(OC)cc4[nH]3)c2)cn1
InChIInChI=1S/C19H20N6O/c1-3-6-25-11-13(10-22-25)12-7-15(18(20)21-9-12)19-23-16-5-4-14(26-2)8-17(16)24-19/h4-5,7-11H,3,6H2,1-2H3,(H2,20,21)(H,23,24)
InChIKeyRSFWYFCGVNLTRP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.49
Rot. Bonds5

About 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine

3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine (PubChem CID 50924931) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine
PubChem CID50924931
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine
SMILESCCCn1cc(-c2cnc(N)c(-c3nc4ccc(OC)cc4[nH]3)c2)cn1
InChIInChI=1S/C19H20N6O/c1-3-6-25-11-13(10-22-25)12-7-15(18(20)21-9-12)19-23-16-5-4-14(26-2)8-17(16)24-19/h4-5,7-11H,3,6H2,1-2H3,(H2,20,21)(H,23,24)
InChIKeyRSFWYFCGVNLTRP-UHFFFAOYSA-N
XLogP3.49
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]acetate
CID 68910003
3-(6-benzyl-1H-benzimidazol-2-yl)-5-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 50924475
5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 67494571
3-[2-[2-amino-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-3-pyridinyl]-3H-benzimidazol-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 50925376
3-(6-bromo-1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 44525189
N-[4-[[2-[2-amino-5-(1-cyclohexylpyrazol-4-yl)-3-pyridinyl]-3H-benzimidazol-5-yl]oxy]phenyl]acetamide
CID 147618454
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
5-[6-amino-5-(6-methoxy-1H-benzimidazol-2-yl)-3-pyridinyl]-N-[(5-ethylcyclohepta-1,3,6-trien-1-yl)methyl]thiophene-2-carboxamide
CID 123499791
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
3-(6-methoxy-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 65017726

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine (CID 50924931) is 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine is CCCn1cc(-c2cnc(N)c(-c3nc4ccc(OC)cc4[nH]3)c2)cn1.
What is the InChIKey of 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is RSFWYFCGVNLTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-3-6-25-11-13(10-22-25)12-7-15(18(20)21-9-12)19-23-16-5-4-14(26-2)8-17(16)24-19/h4-5,7-11H,3,6H2,1-2H3,(H2,20,21)(H,23,24).
What are the key properties of 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine?
3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 348.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-1H-benzimidazol-2-yl)-5-(1-propylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 50924931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).