3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide

C29H29N5O3 — CID 118519307

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cnn(CC(C)O)c3)cc21
InChIInChI=1S/C29H29N5O3/c1-3-34-26-16-21(27(36)31-24-17-30-33(19-24)18-20(2)35)14-15-25(26)32-28(34)29(37,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,19-20,35,37H,3,18H2,1-2H3,(H,31,36)
InChIKeyVXXMLJXRXNUPPQ-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.17
Rot. Bonds8

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide (PubChem CID 118519307) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide
PubChem CID118519307
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cnn(CC(C)O)c3)cc21
InChIInChI=1S/C29H29N5O3/c1-3-34-26-16-21(27(36)31-24-17-30-33(19-24)18-20(2)35)14-15-25(26)32-28(34)29(37,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,19-20,35,37H,3,18H2,1-2H3,(H,31,36)
InChIKeyVXXMLJXRXNUPPQ-UHFFFAOYSA-N
XLogP4.17
TPSA105.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 139447960
CID 139447960
CID 44528581
CID 44528581
CID 138976714
CID 138976714
CID 71463556
CID 71463556
CID 127034876
CID 127034876
CID 127034903
CID 127034903
CID 11473402
CID 11473402
CID 58073798
CID 58073798
CID 67044841
CID 67044841
CID 92131155
CID 92131155
CID 118515849
CID 118515849
CID 118515851
CID 118515851

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide (CID 118519307) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cnn(CC(C)O)c3)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide?
The InChIKey is VXXMLJXRXNUPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-3-34-26-16-21(27(36)31-24-17-30-33(19-24)18-20(2)35)14-15-25(26)32-28(34)29(37,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,19-20,35,37H,3,18H2,1-2H3,(H,31,36).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxypropyl)pyrazol-4-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118519307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).