3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide

C27H28N4O2 — CID 126726296

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC3CCNC3)cc21
InChIInChI=1S/C27H28N4O2/c1-2-31-24-17-19(25(32)29-22-15-16-28-18-22)13-14-23(24)30-26(31)27(33,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,22,28,33H,2,15-16,18H2,1H3,(H,29,32)
InChIKeyVPIWQJULICWZHJ-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.43
Rot. Bonds6

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide (PubChem CID 126726296) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide
PubChem CID126726296
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC3CCNC3)cc21
InChIInChI=1S/C27H28N4O2/c1-2-31-24-17-19(25(32)29-22-15-16-28-18-22)13-14-23(24)30-26(31)27(33,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,22,28,33H,2,15-16,18H2,1H3,(H,29,32)
InChIKeyVPIWQJULICWZHJ-UHFFFAOYSA-N
XLogP3.43
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide (CID 126726296) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC3CCNC3)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide?
The InChIKey is VPIWQJULICWZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-2-31-24-17-19(25(32)29-22-15-16-28-18-22)13-14-23(24)30-26(31)27(33,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,22,28,33H,2,15-16,18H2,1H3,(H,29,32).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 126726296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).