4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine

C30H27ClN4O2 — CID 24753228

IUPAC4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine
SMILESClc1ccc(OCc2ccccc2)c(Cc2cccc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n2)c1
InChIInChI=1S/C30H27ClN4O2/c31-23-9-12-29(37-20-21-5-2-1-3-6-21)22(17-23)18-24-7-4-8-27(32-24)30-33-26-11-10-25(19-28(26)34-30)35-13-15-36-16-14-35/h1-12,17,19H,13-16,18,20H2,(H,33,34)
InChIKeyUZYJHDHPQALPRN-UHFFFAOYSA-N
MW511.03 g/mol
LogP6.28
Rot. Bonds7

About 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine

4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine (PubChem CID 24753228) has the molecular formula C30H27ClN4O2 and a molecular weight of 511.03 g/mol. Its IUPAC name is 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine
PubChem CID24753228
Molecular FormulaC30H27ClN4O2
Molecular Weight511.03 g/mol
Exact Mass510.18
IUPAC Name4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine
SMILESClc1ccc(OCc2ccccc2)c(Cc2cccc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n2)c1
InChIInChI=1S/C30H27ClN4O2/c31-23-9-12-29(37-20-21-5-2-1-3-6-21)22(17-23)18-24-7-4-8-27(32-24)30-33-26-11-10-25(19-28(26)34-30)35-13-15-36-16-14-35/h1-12,17,19H,13-16,18,20H2,(H,33,34)
InChIKeyUZYJHDHPQALPRN-UHFFFAOYSA-N
XLogP6.28
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.03
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine (CID 24753228) is 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine is Clc1ccc(OCc2ccccc2)c(Cc2cccc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n2)c1.
What is the InChIKey of 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine?
The InChIKey is UZYJHDHPQALPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN4O2/c31-23-9-12-29(37-20-21-5-2-1-3-6-21)22(17-23)18-24-7-4-8-27(32-24)30-33-26-11-10-25(19-28(26)34-30)35-13-15-36-16-14-35/h1-12,17,19H,13-16,18,20H2,(H,33,34).
What are the key properties of 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine?
4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine has a molecular weight of 511.03 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]-3H-benzimidazol-5-yl]morpholine is sourced from PubChem (CID 24753228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).