5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine

C19H18Cl2N6 — CID 164628551

IUPAC5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine
SMILESCc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C
InChIInChI=1S/C19H18Cl2N6/c1-10-4-12(22-8-13(10)14-9-27(3)26-11(14)2)7-23-19-24-17-5-15(20)16(21)6-18(17)25-19/h4-6,8-9H,7H2,1-3H3,(H2,23,24,25)
InChIKeyBEURPPOYQYVMBZ-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.89
Rot. Bonds4

About 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine

5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 164628551) has the molecular formula C19H18Cl2N6 and a molecular weight of 401.30 g/mol. Its IUPAC name is 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine
PubChem CID164628551
Molecular FormulaC19H18Cl2N6
Molecular Weight401.30 g/mol
Exact Mass400.10
IUPAC Name5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine
SMILESCc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C
InChIInChI=1S/C19H18Cl2N6/c1-10-4-12(22-8-13(10)14-9-27(3)26-11(14)2)7-23-19-24-17-5-15(20)16(21)6-18(17)25-19/h4-6,8-9H,7H2,1-3H3,(H2,23,24,25)
InChIKeyBEURPPOYQYVMBZ-UHFFFAOYSA-N
XLogP4.89
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine (CID 164628551) is 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine is Cc1cc(CNc2nc3cc(Cl)c(Cl)cc3[nH]2)ncc1-c1cn(C)nc1C.
What is the InChIKey of 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is BEURPPOYQYVMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6/c1-10-4-12(22-8-13(10)14-9-27(3)26-11(14)2)7-23-19-24-17-5-15(20)16(21)6-18(17)25-19/h4-6,8-9H,7H2,1-3H3,(H2,23,24,25).
What are the key properties of 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine?
5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 401.30 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 164628551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).