3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C27H29N3O2 — CID 17010126

IUPAC3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C27H29N3O2/c1-18(2)21-14-12-20(13-15-21)17-30-25-11-6-5-10-24(25)29-26(30)19(3)28-27(31)22-8-7-9-23(16-22)32-4/h5-16,18-19H,17H2,1-4H3,(H,28,31)
InChIKeyPRADTMQXOFPGPW-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.71
Rot. Bonds7

About 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17010126) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17010126
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C27H29N3O2/c1-18(2)21-14-12-20(13-15-21)17-30-25-11-6-5-10-24(25)29-26(30)19(3)28-27(31)22-8-7-9-23(16-22)32-4/h5-16,18-19H,17H2,1-4H3,(H,28,31)
InChIKeyPRADTMQXOFPGPW-UHFFFAOYSA-N
XLogP5.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010286
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283
3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17010091
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010239
3-methoxy-N-[1-(1-prop-2-ynylbenzimidazol-2-yl)ethyl]benzamide
CID 17010092
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
N-[1-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010183

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 17010126) is 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is COc1cccc(C(=O)NC(C)c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is PRADTMQXOFPGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-18(2)21-14-12-20(13-15-21)17-30-25-11-6-5-10-24(25)29-26(30)19(3)28-27(31)22-8-7-9-23(16-22)32-4/h5-16,18-19H,17H2,1-4H3,(H,28,31).
What are the key properties of 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17010126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).