6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C20H15ClN6 — CID 38020885

IUPAC6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(N)c(-c3nc4ccccc4[nH]3)cnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN6/c1-11-17(12-6-8-13(21)9-7-12)20-23-10-14(18(22)27(20)26-11)19-24-15-4-2-3-5-16(15)25-19/h2-10H,22H2,1H3,(H,24,25)
InChIKeyDUITTWJFLCPNAL-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.48
Rot. Bonds2

About 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 38020885) has the molecular formula C20H15ClN6 and a molecular weight of 374.84 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID38020885
Molecular FormulaC20H15ClN6
Molecular Weight374.84 g/mol
Exact Mass374.10
IUPAC Name6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nn2c(N)c(-c3nc4ccccc4[nH]3)cnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN6/c1-11-17(12-6-8-13(21)9-7-12)20-23-10-14(18(22)27(20)26-11)19-24-15-4-2-3-5-16(15)25-19/h2-10H,22H2,1H3,(H,24,25)
InChIKeyDUITTWJFLCPNAL-UHFFFAOYSA-N
XLogP4.48
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
2,5-diamino-3-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 101114567
3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16767083
5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 118734539
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
CID 58037969
3-(4-chlorophenyl)-2,8-dimethyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 3160991
N-[4-amino-5-(1H-benzimidazol-2-yl)pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 139233189
[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 4900052
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole
CID 68842813

Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 38020885) is 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1nn2c(N)c(-c3nc4ccccc4[nH]3)cnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DUITTWJFLCPNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6/c1-11-17(12-6-8-13(21)9-7-12)20-23-10-14(18(22)27(20)26-11)19-24-15-4-2-3-5-16(15)25-19/h2-10H,22H2,1H3,(H,24,25).
What are the key properties of 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 374.84 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 38020885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).