3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide

C27H29N3O4 — CID 126726524

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(OC)cc(C(=O)NC[C@@H](C)O)cc21
InChIInChI=1S/C27H29N3O4/c1-4-30-22-15-19(25(32)28-17-18(2)31)16-23(34-3)24(22)29-26(30)27(33,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18,31,33H,4,17H2,1-3H3,(H,28,32)/t18-/m1/s1
InChIKeyPBVMAJIDXFXPLR-GOSISDBHSA-N
MW459.55 g/mol
LogP3.46
Rot. Bonds8

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide (PubChem CID 126726524) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide
PubChem CID126726524
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(OC)cc(C(=O)NC[C@@H](C)O)cc21
InChIInChI=1S/C27H29N3O4/c1-4-30-22-15-19(25(32)28-17-18(2)31)16-23(34-3)24(22)29-26(30)27(33,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18,31,33H,4,17H2,1-3H3,(H,28,32)/t18-/m1/s1
InChIKeyPBVMAJIDXFXPLR-GOSISDBHSA-N
XLogP3.46
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide (CID 126726524) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(OC)cc(C(=O)NC[C@@H](C)O)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide?
The InChIKey is PBVMAJIDXFXPLR-GOSISDBHSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-4-30-22-15-19(25(32)28-17-18(2)31)16-23(34-3)24(22)29-26(30)27(33,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-16,18,31,33H,4,17H2,1-3H3,(H,28,32)/t18-/m1/s1.
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-7-methoxybenzimidazole-5-carboxamide is sourced from PubChem (CID 126726524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).