5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine

C22H22ClN5 — CID 25101881

IUPAC5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine
SMILESCCCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C22H22ClN5/c1-3-4-11-28-20-8-6-5-7-19(20)27-22(28)16-12-18(23)21(25-13-16)26-17-10-9-15(2)24-14-17/h5-10,12-14H,3-4,11H2,1-2H3,(H,25,26)
InChIKeySQDRYTCIPUCPHK-UHFFFAOYSA-N
MW391.91 g/mol
LogP6.00
Rot. Bonds6

About 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine

5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine (PubChem CID 25101881) has the molecular formula C22H22ClN5 and a molecular weight of 391.91 g/mol. Its IUPAC name is 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine
PubChem CID25101881
Molecular FormulaC22H22ClN5
Molecular Weight391.91 g/mol
Exact Mass391.16
IUPAC Name5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine
SMILESCCCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C22H22ClN5/c1-3-4-11-28-20-8-6-5-7-19(20)27-22(28)16-12-18(23)21(25-13-16)26-17-10-9-15(2)24-14-17/h5-10,12-14H,3-4,11H2,1-2H3,(H,25,26)
InChIKeySQDRYTCIPUCPHK-UHFFFAOYSA-N
XLogP6.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.91
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine (CID 25101881) is 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine is CCCCn1c(-c2cnc(Nc3ccc(C)nc3)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
The InChIKey is SQDRYTCIPUCPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5/c1-3-4-11-28-20-8-6-5-7-19(20)27-22(28)16-12-18(23)21(25-13-16)26-17-10-9-15(2)24-14-17/h5-10,12-14H,3-4,11H2,1-2H3,(H,25,26).
What are the key properties of 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine?
5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine has a molecular weight of 391.91 g/mol, XLogP of 6.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylbenzimidazol-2-yl)-3-chloro-N-(6-methyl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 25101881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).