2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide

C24H27N3O — CID 98727973

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
SMILESCn1c([C@@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H27N3O/c1-27-21-10-6-5-9-20(21)25-24(27)23(17-7-3-2-4-8-17)26-22(28)15-19-14-16-11-12-18(19)13-16/h2-10,16,18-19,23H,11-15H2,1H3,(H,26,28)/t16-,18-,19+,23-/m0/s1
InChIKeyRUGSSFZLHUQEQD-CVFMPKEZSA-N
MW373.50 g/mol
LogP4.61
Rot. Bonds5

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 98727973) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID98727973
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
SMILESCn1c([C@@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H27N3O/c1-27-21-10-6-5-9-20(21)25-24(27)23(17-7-3-2-4-8-17)26-22(28)15-19-14-16-11-12-18(19)13-16/h2-10,16,18-19,23H,11-15H2,1H3,(H,26,28)/t16-,18-,19+,23-/m0/s1
InChIKeyRUGSSFZLHUQEQD-CVFMPKEZSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
N-[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94821546
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 18120767
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 42924349
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-1-phenylethyl)acetamide
CID 114300183
[2-(benzhydrylamino)-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 2352480
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-phenylbutanoic acid
CID 119201254
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
CID 56540206
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide (CID 98727973) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide is Cn1c([C@@H](NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is RUGSSFZLHUQEQD-CVFMPKEZSA-N. The full InChI is InChI=1S/C24H27N3O/c1-27-21-10-6-5-9-20(21)25-24(27)23(17-7-3-2-4-8-17)26-22(28)15-19-14-16-11-12-18(19)13-16/h2-10,16,18-19,23H,11-15H2,1H3,(H,26,28)/t16-,18-,19+,23-/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 98727973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).