N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C25H22ClN5O2 — CID 67290095

IUPACN-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3nc4ccc(-c5ccc(OC(C)C)c(Cl)c5)cc4[nH]3)cn12
InChIInChI=1S/C25H22ClN5O2/c1-14(2)33-22-10-8-16(11-18(22)26)17-7-9-19-20(12-17)29-25(28-19)30-24(32)21-13-31-15(3)5-4-6-23(31)27-21/h4-14H,1-3H3,(H2,28,29,30,32)
InChIKeyNJUNZSVIQGRKJW-UHFFFAOYSA-N
MW459.94 g/mol
LogP5.88
Rot. Bonds5

About N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67290095) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67290095
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC NameN-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3nc4ccc(-c5ccc(OC(C)C)c(Cl)c5)cc4[nH]3)cn12
InChIInChI=1S/C25H22ClN5O2/c1-14(2)33-22-10-8-16(11-18(22)26)17-7-9-19-20(12-17)29-25(28-19)30-24(32)21-13-31-15(3)5-4-6-23(31)27-21/h4-14H,1-3H3,(H2,28,29,30,32)
InChIKeyNJUNZSVIQGRKJW-UHFFFAOYSA-N
XLogP5.88
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.94
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 67290095) is N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)Nc3nc4ccc(-c5ccc(OC(C)C)c(Cl)c5)cc4[nH]3)cn12.
What is the InChIKey of N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NJUNZSVIQGRKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c1-14(2)33-22-10-8-16(11-18(22)26)17-7-9-19-20(12-17)29-25(28-19)30-24(32)21-13-31-15(3)5-4-6-23(31)27-21/h4-14H,1-3H3,(H2,28,29,30,32).
What are the key properties of N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 459.94 g/mol, XLogP of 5.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67290095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).