2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide

C27H29N3O4 — CID 126726402

IUPAC2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCOCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](C)O)cc21
InChIInChI=1S/C27H29N3O4/c1-19(31)18-28-25(32)20-13-14-23-24(17-20)30(15-16-34-2)26(29-23)27(33,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,19,31,33H,15-16,18H2,1-2H3,(H,28,32)/t19-/m1/s1
InChIKeyQSSQQCLECYLTEF-LJQANCHMSA-N
MW459.55 g/mol
LogP3.08
Rot. Bonds9

About 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide

2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide (PubChem CID 126726402) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
PubChem CID126726402
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCOCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](C)O)cc21
InChIInChI=1S/C27H29N3O4/c1-19(31)18-28-25(32)20-13-14-23-24(17-20)30(15-16-34-2)26(29-23)27(33,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,19,31,33H,15-16,18H2,1-2H3,(H,28,32)/t19-/m1/s1
InChIKeyQSSQQCLECYLTEF-LJQANCHMSA-N
XLogP3.08
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide (CID 126726402) is 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide is COCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](C)O)cc21.
What is the InChIKey of 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
The InChIKey is QSSQQCLECYLTEF-LJQANCHMSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-19(31)18-28-25(32)20-13-14-23-24(17-20)30(15-16-34-2)26(29-23)27(33,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17,19,31,33H,15-16,18H2,1-2H3,(H,28,32)/t19-/m1/s1.
What are the key properties of 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.08, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 126726402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).